2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide

C23H32N4O3S — CID 11270743

IUPAC2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide
SMILESCc1ccc2cc(S(=O)(=O)N[C@H]3CCCN(C4CCN(C(C)C)CC4)C3=O)ccc2n1
InChIInChI=1S/C23H32N4O3S/c1-16(2)26-13-10-19(11-14-26)27-12-4-5-22(23(27)28)25-31(29,30)20-8-9-21-18(15-20)7-6-17(3)24-21/h6-9,15-16,19,22,25H,4-5,10-14H2,1-3H3/t22-/m0/s1
InChIKeyJBSOQRGWBPUOJB-QFIPXVFZSA-N
MW444.60 g/mol
LogP2.69
Rot. Bonds5

About 2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide

2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide (PubChem CID 11270743) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide
PubChem CID11270743
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide
SMILESCc1ccc2cc(S(=O)(=O)N[C@H]3CCCN(C4CCN(C(C)C)CC4)C3=O)ccc2n1
InChIInChI=1S/C23H32N4O3S/c1-16(2)26-13-10-19(11-14-26)27-12-4-5-22(23(27)28)25-31(29,30)20-8-9-21-18(15-20)7-6-17(3)24-21/h6-9,15-16,19,22,25H,4-5,10-14H2,1-3H3/t22-/m0/s1
InChIKeyJBSOQRGWBPUOJB-QFIPXVFZSA-N
XLogP2.69
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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
6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
CID 20581375
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide
CID 127397792
6-chloro-N-[1-(1-cyanopiperidin-4-yl)-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 72792092
N-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide
CID 70334028
N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
CID 129326844
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
2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid
CID 20580878
2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid
CID 59056535
(2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid
CID 69058635

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide?
The IUPAC name of 2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide (CID 11270743) is 2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide?
The canonical SMILES for 2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide is Cc1ccc2cc(S(=O)(=O)N[C@H]3CCCN(C4CCN(C(C)C)CC4)C3=O)ccc2n1.
What is the InChIKey of 2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide?
The InChIKey is JBSOQRGWBPUOJB-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-16(2)26-13-10-19(11-14-26)27-12-4-5-22(23(27)28)25-31(29,30)20-8-9-21-18(15-20)7-6-17(3)24-21/h6-9,15-16,19,22,25H,4-5,10-14H2,1-3H3/t22-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide?
2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide has a molecular weight of 444.60 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide is sourced from PubChem (CID 11270743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).