(3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine

C15H24N2O3S — CID 124628636

IUPAC(3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine
SMILESCO[C@@H](C)CS(=O)(=O)N1CCC[C@H](Nc2ccccc2)C1
InChIInChI=1S/C15H24N2O3S/c1-13(20-2)12-21(18,19)17-10-6-9-15(11-17)16-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3/t13-,15-/m0/s1
InChIKeyWHMVFWXYKWVFPI-ZFWWWQNUSA-N
MW312.43 g/mol
LogP1.93
Rot. Bonds6

About (3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine

(3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine (PubChem CID 124628636) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is (3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine
PubChem CID124628636
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name(3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine
SMILESCO[C@@H](C)CS(=O)(=O)N1CCC[C@H](Nc2ccccc2)C1
InChIInChI=1S/C15H24N2O3S/c1-13(20-2)12-21(18,19)17-10-6-9-15(11-17)16-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3/t13-,15-/m0/s1
InChIKeyWHMVFWXYKWVFPI-ZFWWWQNUSA-N
XLogP1.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine?
The IUPAC name of (3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine (CID 124628636) is (3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine.
What is the SMILES notation for (3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine?
The canonical SMILES for (3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine is CO[C@@H](C)CS(=O)(=O)N1CCC[C@H](Nc2ccccc2)C1.
What is the InChIKey of (3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine?
The InChIKey is WHMVFWXYKWVFPI-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13(20-2)12-21(18,19)17-10-6-9-15(11-17)16-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of (3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine?
(3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine has a molecular weight of 312.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine is sourced from PubChem (CID 124628636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).