[(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine

C13H27N3O2S — CID 124835693

IUPAC[(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine
SMILESC[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)[C@H]1CN
InChIInChI=1S/C13H27N3O2S/c1-12-7-6-10-16(13(12)11-14)19(17,18)15-8-4-2-3-5-9-15/h12-13H,2-11,14H2,1H3/t12-,13+/m1/s1
InChIKeyFREMGPMCPWVKSK-OLZOCXBDSA-N
MW289.45 g/mol
LogP1.17
Rot. Bonds3

About [(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine

[(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine (PubChem CID 124835693) has the molecular formula C13H27N3O2S and a molecular weight of 289.45 g/mol. Its IUPAC name is [(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine
PubChem CID124835693
Molecular FormulaC13H27N3O2S
Molecular Weight289.45 g/mol
Exact Mass289.18
IUPAC Name[(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine
SMILESC[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)[C@H]1CN
InChIInChI=1S/C13H27N3O2S/c1-12-7-6-10-16(13(12)11-14)19(17,18)15-8-4-2-3-5-9-15/h12-13H,2-11,14H2,1H3/t12-,13+/m1/s1
InChIKeyFREMGPMCPWVKSK-OLZOCXBDSA-N
XLogP1.17
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119984879
[1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 119969168
2-(chloromethyl)-3-methyl-1-pyrrolidin-1-ylsulfonylpyrrolidine
CID 102788479
[(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 125145965
2-(aminomethyl)-N,N-diethyl-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119984924
2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide
CID 114810844
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 107328297
1-pyrrolidin-1-ylsulfonylpyrrolidin-2-amine
CID 43210458
[3-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119984944
[3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 119984742
[(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 124677567

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine (CID 124835693) is [(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine is C[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)[C@H]1CN.
What is the InChIKey of [(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine?
The InChIKey is FREMGPMCPWVKSK-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-12-7-6-10-16(13(12)11-14)19(17,18)15-8-4-2-3-5-9-15/h12-13H,2-11,14H2,1H3/t12-,13+/m1/s1.
What are the key properties of [(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine?
[(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine has a molecular weight of 289.45 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 124835693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).