N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide

C16H26N2O2S — CID 94816598

IUPACN-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2O2S/c1-2-11-21(19,20)17-12-16-9-6-10-18(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3/t16-/m0/s1
InChIKeyCRQUTQPYKNVGBO-INIZCTEOSA-N
MW310.46 g/mol
LogP2.23
Rot. Bonds7

About N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide

N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide (PubChem CID 94816598) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
PubChem CID94816598
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2O2S/c1-2-11-21(19,20)17-12-16-9-6-10-18(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3/t16-/m0/s1
InChIKeyCRQUTQPYKNVGBO-INIZCTEOSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide
CID 95211899
1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide
CID 97273714
N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 97275202
N-[[1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 72876889
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 72910147
N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 26399178
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 16919832
N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 45198431
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]thian-4-amine
CID 95143520
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide (CID 94816598) is N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide?
The InChIKey is CRQUTQPYKNVGBO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-2-11-21(19,20)17-12-16-9-6-10-18(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3/t16-/m0/s1.
What are the key properties of N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide?
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 94816598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).