(1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride

Name: (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₂₀ClNO₂S — CID 171198410

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride

SMILESCCC(C)[C@@H](N)c1ccc(S(C)(=O)=O)cc1.Cl

InChIInChI=1S/C12H19NO2S.ClH/c1-4-9(2)12(13)10-5-7-11(8-6-10)16(3,14)15;/h5-9,12H,4,13H2,1-3H3;1H/t9?,12-;/m1./s1

InChIKeyHWSKRMKBQDOORN-ZHWMGRLRSA-N

MW277.82 g/mol

LogP2.56

Rot. Bonds4

About (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride

(1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride (PubChem CID 171198410) has the molecular formula C₁₂H₂₀ClNO₂S and a molecular weight of 277.82 g/mol. Its IUPAC name is (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name	(1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride
PubChem CID	171198410
Molecular Formula	C₁₂H₂₀ClNO₂S
Molecular Weight	277.82 g/mol
Exact Mass	277.09
IUPAC Name	(1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride
SMILES	CCC(C)[C@@H](N)c1ccc(S(C)(=O)=O)cc1.Cl
InChI	InChI=1S/C12H19NO2S.ClH/c1-4-9(2)12(13)10-5-7-11(8-6-10)16(3,14)15;/h5-9,12H,4,13H2,1-3H3;1H/t9?,12-;/m1./s1
InChIKey	HWSKRMKBQDOORN-ZHWMGRLRSA-N
XLogP	2.56
TPSA	60.16 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.82
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride?

The IUPAC name of (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride (CID 171198410) is (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride.

What is the SMILES notation for (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride?

The canonical SMILES for (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride is CCC(C)[C@@H](N)c1ccc(S(C)(=O)=O)cc1.Cl.

What is the InChIKey of (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride?

The InChIKey is HWSKRMKBQDOORN-ZHWMGRLRSA-N. The full InChI is InChI=1S/C12H19NO2S.ClH/c1-4-9(2)12(13)10-5-7-11(8-6-10)16(3,14)15;/h5-9,12H,4,13H2,1-3H3;1H/t9?,12-;/m1./s1.

What are the key properties of (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride?

(1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride has a molecular weight of 277.82 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 171198410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 171198410 — identifiers, structure, computed properties (public domain)

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