(2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide

C15H23N3O3S — CID 94446876

IUPAC(2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide
SMILESCS(=O)(=O)NC[C@H]1CCCN([C@H](C(N)=O)c2ccccc2)C1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)17-10-12-6-5-9-18(11-12)14(15(16)19)13-7-3-2-4-8-13/h2-4,7-8,12,14,17H,5-6,9-11H2,1H3,(H2,16,19)/t12-,14+/m1/s1
InChIKeyCATMGMWKFIRUIG-OCCSQVGLSA-N
MW325.43 g/mol
LogP0.47
Rot. Bonds6

About (2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide

(2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide (PubChem CID 94446876) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide
PubChem CID94446876
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name(2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide
SMILESCS(=O)(=O)NC[C@H]1CCCN([C@H](C(N)=O)c2ccccc2)C1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)17-10-12-6-5-9-18(11-12)14(15(16)19)13-7-3-2-4-8-13/h2-4,7-8,12,14,17H,5-6,9-11H2,1H3,(H2,16,19)/t12-,14+/m1/s1
InChIKeyCATMGMWKFIRUIG-OCCSQVGLSA-N
XLogP0.47
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288841
2-(4-cyanophenyl)-2-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]acetamide
CID 86959111
N-[[(3R)-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838908
2-(3-ethoxypiperidin-1-yl)-2-phenylacetamide
CID 47411464
N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838903
(3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 94378645
1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 56815640
(2S)-2-phenyl-2-[(3R)-3-propoxypiperidin-1-yl]acetamide
CID 94215510
2-amino-2-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 119866660
N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
(2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-phenylacetamide
CID 98752121

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide (CID 94446876) is (2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide is CS(=O)(=O)NC[C@H]1CCCN([C@H](C(N)=O)c2ccccc2)C1.
What is the InChIKey of (2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide?
The InChIKey is CATMGMWKFIRUIG-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-22(20,21)17-10-12-6-5-9-18(11-12)14(15(16)19)13-7-3-2-4-8-13/h2-4,7-8,12,14,17H,5-6,9-11H2,1H3,(H2,16,19)/t12-,14+/m1/s1.
What are the key properties of (2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide?
(2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide has a molecular weight of 325.43 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 94446876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).