(3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

C15H25N3O2S — CID 95780808

IUPAC(3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCC(C)S(=O)(=O)N1CC[C@H](NCc2ccncc2)[C@H](C)C1
InChIInChI=1S/C15H25N3O2S/c1-12(2)21(19,20)18-9-6-15(13(3)11-18)17-10-14-4-7-16-8-5-14/h4-5,7-8,12-13,15,17H,6,9-11H2,1-3H3/t13-,15+/m1/s1
InChIKeyWLZZYXYOCXPUFV-HIFRSBDPSA-N
MW311.45 g/mol
LogP1.62
Rot. Bonds5

About (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

(3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 95780808) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID95780808
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name(3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCC(C)S(=O)(=O)N1CC[C@H](NCc2ccncc2)[C@H](C)C1
InChIInChI=1S/C15H25N3O2S/c1-12(2)21(19,20)18-9-6-15(13(3)11-18)17-10-14-4-7-16-8-5-14/h4-5,7-8,12-13,15,17H,6,9-11H2,1-3H3/t13-,15+/m1/s1
InChIKeyWLZZYXYOCXPUFV-HIFRSBDPSA-N
XLogP1.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-propan-2-ylsulfonylpiperidin-4-amine
CID 95780787
(3S,4S)-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 95780791
(3S,4R)-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 100837983
[5-[[[(3S,4R)-3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol
CID 98768227
(3R,4S)-3-methyl-N-[(Z)-3-phenylprop-2-enyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 97359461
(3S,4S)-3-methyl-1-methylsulfonyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 95780727
(3S,4S)-N-(1H-indol-4-ylmethyl)-3-methyl-1-propan-2-ylsulfonylpiperidin-4-amine
CID 95780799
(3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
CID 98772907
4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine
CID 121017469
(3R,4R)-3-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 124726925
(3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine
CID 177325459
(3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 124865969

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (CID 95780808) is (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is CC(C)S(=O)(=O)N1CC[C@H](NCc2ccncc2)[C@H](C)C1.
What is the InChIKey of (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is WLZZYXYOCXPUFV-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(2)21(19,20)18-9-6-15(13(3)11-18)17-10-14-4-7-16-8-5-14/h4-5,7-8,12-13,15,17H,6,9-11H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
(3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 311.45 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 95780808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).