(3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine

C14H22ClN3O2S — CID 95339246

IUPAC(3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine
SMILESC[C@@H](c1ccccc1Cl)N1CCC[C@H](CNS(N)(=O)=O)C1
InChIInChI=1S/C14H22ClN3O2S/c1-11(13-6-2-3-7-14(13)15)18-8-4-5-12(10-18)9-17-21(16,19)20/h2-3,6-7,11-12,17H,4-5,8-10H2,1H3,(H2,16,19,20)/t11-,12+/m0/s1
InChIKeyFCTATEAVUZAKIS-NWDGAFQWSA-N
MW331.87 g/mol
LogP1.91
Rot. Bonds5

About (3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine

(3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 95339246) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is (3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name(3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine
PubChem CID95339246
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name(3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine
SMILESC[C@@H](c1ccccc1Cl)N1CCC[C@H](CNS(N)(=O)=O)C1
InChIInChI=1S/C14H22ClN3O2S/c1-11(13-6-2-3-7-14(13)15)18-8-4-5-12(10-18)9-17-21(16,19)20/h2-3,6-7,11-12,17H,4-5,8-10H2,1H3,(H2,16,19,20)/t11-,12+/m0/s1
InChIKeyFCTATEAVUZAKIS-NWDGAFQWSA-N
XLogP1.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838903
N-[[(3R)-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838908
N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine
CID 61206350
N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240771
N-[[(3R)-1-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838899
3-[1-[1-(2-chlorophenyl)ethyl]piperidin-3-yl]butanoic acid
CID 81047875
(2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide
CID 52521152
(2R)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide
CID 52521154
(2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide
CID 94446876
N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413
1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 54965482
(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of (3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine (CID 95339246) is (3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for (3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for (3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine is C[C@@H](c1ccccc1Cl)N1CCC[C@H](CNS(N)(=O)=O)C1.
What is the InChIKey of (3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is FCTATEAVUZAKIS-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-11(13-6-2-3-7-14(13)15)18-8-4-5-12(10-18)9-17-21(16,19)20/h2-3,6-7,11-12,17H,4-5,8-10H2,1H3,(H2,16,19,20)/t11-,12+/m0/s1.
What are the key properties of (3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine?
(3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 331.87 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 95339246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).