[4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine

C15H24N2O2S — CID 63623208

IUPAC[4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine
SMILESCC1CCCN(S(=O)(=O)Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-13-3-2-9-17(10-8-13)20(18,19)12-15-6-4-14(11-16)5-7-15/h4-7,13H,2-3,8-12,16H2,1H3
InChIKeyRVWJVBJLTCNSMF-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.10
Rot. Bonds4

About [4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine

[4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine (PubChem CID 63623208) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is [4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine
PubChem CID63623208
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name[4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine
SMILESCC1CCCN(S(=O)(=O)Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-13-3-2-9-17(10-8-13)20(18,19)12-15-6-4-14(11-16)5-7-15/h4-7,13H,2-3,8-12,16H2,1H3
InChIKeyRVWJVBJLTCNSMF-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 54885835
[2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride
CID 71757298
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonylmethyl)phenyl]methanamine
CID 65319374
3-methyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 110749809
[4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine
CID 43105697
N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide
CID 60921183
4-[[(3S)-3-methylpiperidin-1-yl]sulfonylmethyl]benzonitrile
CID 26008280
[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94015684
2-[1-[[4-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-3-yl]ethanol
CID 114797376
[1-[(4-bromophenyl)methylsulfonyl]piperidin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 92673806
[1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol
CID 43579017
4-[(3-methylpyrrolidin-1-yl)sulfonylmethyl]benzenecarbothioamide
CID 61224659

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine?
The IUPAC name of [4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine (CID 63623208) is [4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine.
What is the SMILES notation for [4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine?
The canonical SMILES for [4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine is CC1CCCN(S(=O)(=O)Cc2ccc(CN)cc2)CC1.
What is the InChIKey of [4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine?
The InChIKey is RVWJVBJLTCNSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-13-3-2-9-17(10-8-13)20(18,19)12-15-6-4-14(11-16)5-7-15/h4-7,13H,2-3,8-12,16H2,1H3.
What are the key properties of [4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine?
[4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine has a molecular weight of 296.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine is sourced from PubChem (CID 63623208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).