(3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine

C15H24N2O3S — CID 98772907

IUPAC(3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
SMILESCOc1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1
InChIInChI=1S/C15H24N2O3S/c1-12-11-17(21(3,18)19)9-8-15(12)16-10-13-4-6-14(20-2)7-5-13/h4-7,12,15-16H,8-11H2,1-3H3/t12-,15+/m0/s1
InChIKeySXTYXPWKYVUKRK-SWLSCSKDSA-N
MW312.44 g/mol
LogP1.45
Rot. Bonds5

About (3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine

(3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine (PubChem CID 98772907) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is (3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
PubChem CID98772907
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name(3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
SMILESCOc1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1
InChIInChI=1S/C15H24N2O3S/c1-12-11-17(21(3,18)19)9-8-15(12)16-10-13-4-6-14(20-2)7-5-13/h4-7,12,15-16H,8-11H2,1-3H3/t12-,15+/m0/s1
InChIKeySXTYXPWKYVUKRK-SWLSCSKDSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-3-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 97026929
(3S,4R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
CID 98768217
(3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
CID 124865698
(3S,4S)-3-methyl-1-methylsulfonyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 95780727
cyclopropyl-[(3R,4R)-4-[(4-methoxyphenyl)methylamino]-3-methylpiperidin-1-yl]methanone
CID 97024595
(3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 95780808
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
(3S,4R)-N-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
CID 95780700
N,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 114449186
4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide
CID 97026922
(3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 124865929
1,5-dimethyl-4-[[[(3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]pyrrole-2-carbonitrile
CID 95780706

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of (3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine (CID 98772907) is (3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for (3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for (3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine is COc1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1.
What is the InChIKey of (3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine?
The InChIKey is SXTYXPWKYVUKRK-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-11-17(21(3,18)19)9-8-15(12)16-10-13-4-6-14(20-2)7-5-13/h4-7,12,15-16H,8-11H2,1-3H3/t12-,15+/m0/s1.
What are the key properties of (3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine?
(3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine has a molecular weight of 312.44 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 98772907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).