N-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide

C20H32N2O3S — CID 25458978

IUPACN-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C3CCCCCC3)C2)cc1
InChIInChI=1S/C20H32N2O3S/c1-25-19-10-12-20(13-11-19)26(23,24)21-15-17-7-6-14-22(16-17)18-8-4-2-3-5-9-18/h10-13,17-18,21H,2-9,14-16H2,1H3/t17-/m0/s1
InChIKeyXGOGPRYNSUVBKA-KRWDZBQOSA-N
MW380.55 g/mol
LogP3.41
Rot. Bonds6

About N-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide

N-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide (PubChem CID 25458978) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is N-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
PubChem CID25458978
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC NameN-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C3CCCCCC3)C2)cc1
InChIInChI=1S/C20H32N2O3S/c1-25-19-10-12-20(13-11-19)26(23,24)21-15-17-7-6-14-22(16-17)18-8-4-2-3-5-9-18/h10-13,17-18,21H,2-9,14-16H2,1H3/t17-/m0/s1
InChIKeyXGOGPRYNSUVBKA-KRWDZBQOSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[[(3S)-1-(2-piperidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42460993
4-methoxy-N-[[(3R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26333357
4-methoxy-N-[[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26391154
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220
4-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42520803
N-[[(3R)-1-(cyclohexene-1-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 26322895
4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 97268124
4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide
CID 25304086
4-methoxy-N-[[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42288519
N-[[1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 45229284
4-methoxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 45203635
N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 26321541

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide (CID 25458978) is N-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C3CCCCCC3)C2)cc1.
What is the InChIKey of N-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The InChIKey is XGOGPRYNSUVBKA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-25-19-10-12-20(13-11-19)26(23,24)21-15-17-7-6-14-22(16-17)18-8-4-2-3-5-9-18/h10-13,17-18,21H,2-9,14-16H2,1H3/t17-/m0/s1.
What are the key properties of N-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
N-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide has a molecular weight of 380.55 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 25458978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).