(3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide

C16H31N3O3S — CID 124759709

IUPAC(3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESC[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H31N3O3S/c1-13-6-4-7-14(2)19(13)11-9-17-16(20)15-8-5-10-18(12-15)23(3,21)22/h13-15H,4-12H2,1-3H3,(H,17,20)/t13-,14-,15+/m1/s1
InChIKeyHOIPITSALYMZEM-KFWWJZLASA-N
MW345.51 g/mol
LogP1.04
Rot. Bonds5

About (3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide

(3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 124759709) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is (3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID124759709
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC Name(3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESC[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H31N3O3S/c1-13-6-4-7-14(2)19(13)11-9-17-16(20)15-8-5-10-18(12-15)23(3,21)22/h13-15H,4-12H2,1-3H3,(H,17,20)/t13-,14-,15+/m1/s1
InChIKeyHOIPITSALYMZEM-KFWWJZLASA-N
XLogP1.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 6941835
N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 3261210
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 4066550
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 3687178
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 60729585
N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 83031962
5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 62032860
(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7030670
(3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide
CID 92687078
(3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 94122097
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 3446298

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 124759709) is (3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide is C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of (3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is HOIPITSALYMZEM-KFWWJZLASA-N. The full InChI is InChI=1S/C16H31N3O3S/c1-13-6-4-7-14(2)19(13)11-9-17-16(20)15-8-5-10-18(12-15)23(3,21)22/h13-15H,4-12H2,1-3H3,(H,17,20)/t13-,14-,15+/m1/s1.
What are the key properties of (3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide?
(3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 345.51 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 124759709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).