[5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine

C14H21ClN2O2S — CID 82885080

IUPAC[5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C14H21ClN2O2S/c1-10-4-3-5-17(9-10)20(18,19)14-7-13(15)6-12(8-16)11(14)2/h6-7,10H,3-5,8-9,16H2,1-2H3
InChIKeyDTSDZPQLTIPPQY-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.53
Rot. Bonds3

About [5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine

[5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine (PubChem CID 82885080) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is [5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine
PubChem CID82885080
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name[5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C14H21ClN2O2S/c1-10-4-3-5-17(9-10)20(18,19)14-7-13(15)6-12(8-16)11(14)2/h6-7,10H,3-5,8-9,16H2,1-2H3
InChIKeyDTSDZPQLTIPPQY-UHFFFAOYSA-N
XLogP2.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]phenyl]methanamine
CID 82879496
[5-chloro-3-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-2-methylphenyl]methanamine
CID 82879638
1-[5-chloro-3-(chloromethyl)-2-methylphenyl]sulfonyl-3-ethylpiperidine
CID 82879451
[5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 106317121
(3R)-1-(2,5-dimethyl-3-methylsulfonylphenyl)sulfonyl-3-methylpiperidine
CID 95156648
(3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine
CID 27210471
4-chloro-2-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 22748532
1-(3-amino-5-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 114378875
2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43110377
3-(aminomethyl)-5-chloro-N-cyclopentyl-2-methylbenzenesulfonamide
CID 82884640
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
[5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol
CID 103541089

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine (CID 82885080) is [5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine is Cc1c(CN)cc(Cl)cc1S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of [5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
The InChIKey is DTSDZPQLTIPPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-10-4-3-5-17(9-10)20(18,19)14-7-13(15)6-12(8-16)11(14)2/h6-7,10H,3-5,8-9,16H2,1-2H3.
What are the key properties of [5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
[5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine has a molecular weight of 316.85 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 82885080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).