6-methyl-N-[(4S)-7-oxo-8-(1-propan-2-ylpiperidin-4-yl)-8-azadispiro[2.0.24.33]nonan-5-yl]naphthalene-2-sulfonamide

C27H35N3O3S — CID 143051184

IUPAC6-methyl-N-[(4S)-7-oxo-8-(1-propan-2-ylpiperidin-4-yl)-8-azadispiro[2.0.24.33]nonan-5-yl]naphthalene-2-sulfonamide
SMILESCc1ccc2cc(S(=O)(=O)NC3C[C@@]34C(=O)N(C3CCN(C(C)C)CC3)CC43CC3)ccc2c1
InChIInChI=1S/C27H35N3O3S/c1-18(2)29-12-8-22(9-13-29)30-17-26(10-11-26)27(25(30)31)16-24(27)28-34(32,33)23-7-6-20-14-19(3)4-5-21(20)15-23/h4-7,14-15,18,22,24,28H,8-13,16-17H2,1-3H3/t24?,27-/m0/s1
InChIKeyLUHSKTMZYYPRJM-WKDCXCOVSA-N
MW481.66 g/mol
LogP3.68
Rot. Bonds5

About 6-methyl-N-[(4S)-7-oxo-8-(1-propan-2-ylpiperidin-4-yl)-8-azadispiro[2.0.24.33]nonan-5-yl]naphthalene-2-sulfonamide

6-methyl-N-[(4S)-7-oxo-8-(1-propan-2-ylpiperidin-4-yl)-8-azadispiro[2.0.24.33]nonan-5-yl]naphthalene-2-sulfonamide (PubChem CID 143051184) has the molecular formula C27H35N3O3S and a molecular weight of 481.66 g/mol. Its IUPAC name is 6-methyl-N-[(4S)-7-oxo-8-(1-propan-2-ylpiperidin-4-yl)-8-azadispiro[2.0.24.33]nonan-5-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-methyl-N-[(4S)-7-oxo-8-(1-propan-2-ylpiperidin-4-yl)-8-azadispiro[2.0.24.33]nonan-5-yl]naphthalene-2-sulfonamide
PubChem CID143051184
Molecular FormulaC27H35N3O3S
Molecular Weight481.66 g/mol
Exact Mass481.24
IUPAC Name6-methyl-N-[(4S)-7-oxo-8-(1-propan-2-ylpiperidin-4-yl)-8-azadispiro[2.0.24.33]nonan-5-yl]naphthalene-2-sulfonamide
SMILESCc1ccc2cc(S(=O)(=O)NC3C[C@@]34C(=O)N(C3CCN(C(C)C)CC3)CC43CC3)ccc2c1
InChIInChI=1S/C27H35N3O3S/c1-18(2)29-12-8-22(9-13-29)30-17-26(10-11-26)27(25(30)31)16-24(27)28-34(32,33)23-7-6-20-14-19(3)4-5-21(20)15-23/h4-7,14-15,18,22,24,28H,8-13,16-17H2,1-3H3/t24?,27-/m0/s1
InChIKeyLUHSKTMZYYPRJM-WKDCXCOVSA-N
XLogP3.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.66
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 11247921
2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide
CID 11270743
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 22772651
6-chloro-N-(cyanomethyl)-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 11271771
N-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide
CID 70334028
2,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887555
6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
CID 20581375
4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide
CID 15529692
(2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid
CID 69058635
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16887535
6-chloro-N-[1-(1-cyanopiperidin-4-yl)-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 72792092
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-methylbenzenesulfonamide
CID 110719771

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(4S)-7-oxo-8-(1-propan-2-ylpiperidin-4-yl)-8-azadispiro[2.0.24.33]nonan-5-yl]naphthalene-2-sulfonamide?
The IUPAC name of 6-methyl-N-[(4S)-7-oxo-8-(1-propan-2-ylpiperidin-4-yl)-8-azadispiro[2.0.24.33]nonan-5-yl]naphthalene-2-sulfonamide (CID 143051184) is 6-methyl-N-[(4S)-7-oxo-8-(1-propan-2-ylpiperidin-4-yl)-8-azadispiro[2.0.24.33]nonan-5-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-methyl-N-[(4S)-7-oxo-8-(1-propan-2-ylpiperidin-4-yl)-8-azadispiro[2.0.24.33]nonan-5-yl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-methyl-N-[(4S)-7-oxo-8-(1-propan-2-ylpiperidin-4-yl)-8-azadispiro[2.0.24.33]nonan-5-yl]naphthalene-2-sulfonamide is Cc1ccc2cc(S(=O)(=O)NC3C[C@@]34C(=O)N(C3CCN(C(C)C)CC3)CC43CC3)ccc2c1.
What is the InChIKey of 6-methyl-N-[(4S)-7-oxo-8-(1-propan-2-ylpiperidin-4-yl)-8-azadispiro[2.0.24.33]nonan-5-yl]naphthalene-2-sulfonamide?
The InChIKey is LUHSKTMZYYPRJM-WKDCXCOVSA-N. The full InChI is InChI=1S/C27H35N3O3S/c1-18(2)29-12-8-22(9-13-29)30-17-26(10-11-26)27(25(30)31)16-24(27)28-34(32,33)23-7-6-20-14-19(3)4-5-21(20)15-23/h4-7,14-15,18,22,24,28H,8-13,16-17H2,1-3H3/t24?,27-/m0/s1.
What are the key properties of 6-methyl-N-[(4S)-7-oxo-8-(1-propan-2-ylpiperidin-4-yl)-8-azadispiro[2.0.24.33]nonan-5-yl]naphthalene-2-sulfonamide?
6-methyl-N-[(4S)-7-oxo-8-(1-propan-2-ylpiperidin-4-yl)-8-azadispiro[2.0.24.33]nonan-5-yl]naphthalene-2-sulfonamide has a molecular weight of 481.66 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(4S)-7-oxo-8-(1-propan-2-ylpiperidin-4-yl)-8-azadispiro[2.0.24.33]nonan-5-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 143051184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).