(3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride

C14H21ClN2O3S — CID 119378692

IUPAC(3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCCC(N)C2)cc1S(C)(=O)=O.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-10-5-6-11(8-13(10)20(2,18)19)14(17)16-7-3-4-12(15)9-16;/h5-6,8,12H,3-4,7,9,15H2,1-2H3;1H
InChIKeySYLZLMCRLOSCHM-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.38
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride (PubChem CID 119378692) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride
PubChem CID119378692
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name(3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCCC(N)C2)cc1S(C)(=O)=O.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-10-5-6-11(8-13(10)20(2,18)19)14(17)16-7-3-4-12(15)9-16;/h5-6,8,12H,3-4,7,9,15H2,1-2H3;1H
InChIKeySYLZLMCRLOSCHM-UHFFFAOYSA-N
XLogP1.38
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 61297571
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide;hydrochloride
CID 119412837
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663
(3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone
CID 123523269
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
(3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 119378639
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119412777
2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103428976
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride (CID 119378692) is (3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride is Cc1ccc(C(=O)N2CCCC(N)C2)cc1S(C)(=O)=O.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride?
The InChIKey is SYLZLMCRLOSCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S.ClH/c1-10-5-6-11(8-13(10)20(2,18)19)14(17)16-7-3-4-12(15)9-16;/h5-6,8,12H,3-4,7,9,15H2,1-2H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119378692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).