N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide

C21H30N2O2S — CID 10619437

IUPACN-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide
SMILESC[C@@H]1CCCN(CC[C@@H](C)N(C)S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C21H30N2O2S/c1-17-8-7-14-23(16-17)15-13-18(2)22(3)26(24,25)21-12-6-10-19-9-4-5-11-20(19)21/h4-6,9-12,17-18H,7-8,13-16H2,1-3H3/t17-,18-/m1/s1
InChIKeyXZYWRBPKJXHPIN-QZTJIDSGSA-N
MW374.55 g/mol
LogP3.97
Rot. Bonds6

About N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide

N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide (PubChem CID 10619437) has the molecular formula C21H30N2O2S and a molecular weight of 374.55 g/mol. Its IUPAC name is N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide
PubChem CID10619437
Molecular FormulaC21H30N2O2S
Molecular Weight374.55 g/mol
Exact Mass374.20
IUPAC NameN-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide
SMILESC[C@@H]1CCCN(CC[C@@H](C)N(C)S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C21H30N2O2S/c1-17-8-7-14-23(16-17)15-13-18(2)22(3)26(24,25)21-12-6-10-19-9-4-5-11-20(19)21/h4-6,9-12,17-18H,7-8,13-16H2,1-3H3/t17-,18-/m1/s1
InChIKeyXZYWRBPKJXHPIN-QZTJIDSGSA-N
XLogP3.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide?
The IUPAC name of N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide (CID 10619437) is N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide is C[C@@H]1CCCN(CC[C@@H](C)N(C)S(=O)(=O)c2cccc3ccccc23)C1.
What is the InChIKey of N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide?
The InChIKey is XZYWRBPKJXHPIN-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H30N2O2S/c1-17-8-7-14-23(16-17)15-13-18(2)22(3)26(24,25)21-12-6-10-19-9-4-5-11-20(19)21/h4-6,9-12,17-18H,7-8,13-16H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide?
N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide has a molecular weight of 374.55 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 10619437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).