(1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine

C15H24N2O3S — CID 124688177

IUPAC(1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine
SMILESCOc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)N)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-11-10-13(20-3)7-8-15(11)21(18,19)17-9-5-4-6-14(17)12(2)16/h7-8,10,12,14H,4-6,9,16H2,1-3H3/t12-,14+/m1/s1
InChIKeyHDABACVIULIXFI-OCCSQVGLSA-N
MW312.44 g/mol
LogP1.89
Rot. Bonds4

About (1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine

(1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine (PubChem CID 124688177) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is (1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine
PubChem CID124688177
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name(1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine
SMILESCOc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)N)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-11-10-13(20-3)7-8-15(11)21(18,19)17-9-5-4-6-14(17)12(2)16/h7-8,10,12,14H,4-6,9,16H2,1-3H3/t12-,14+/m1/s1
InChIKeyHDABACVIULIXFI-OCCSQVGLSA-N
XLogP1.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965432
methyl 4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-3-methylbenzoate
CID 119965486
[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688201
4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 120999652
(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124691045
1-[1-(2,3,4-trifluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63255176
4-(4-methoxy-2-methylphenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 110314590
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63254819
(1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124570360
1-[1-(3-bromo-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965556
1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55169537
5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline
CID 119965411

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine?
The IUPAC name of (1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine (CID 124688177) is (1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine.
What is the SMILES notation for (1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine?
The canonical SMILES for (1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine is COc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)N)c(C)c1.
What is the InChIKey of (1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine?
The InChIKey is HDABACVIULIXFI-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-10-13(20-3)7-8-15(11)21(18,19)17-9-5-4-6-14(17)12(2)16/h7-8,10,12,14H,4-6,9,16H2,1-3H3/t12-,14+/m1/s1.
What are the key properties of (1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine?
(1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine has a molecular weight of 312.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine is sourced from PubChem (CID 124688177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).