[1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride

C12H26ClN3O2S — CID 119969168

IUPAC[1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C12H25N3O2S.ClH/c13-11-12-7-3-6-10-15(12)18(16,17)14-8-4-1-2-5-9-14;/h12H,1-11,13H2;1H
InChIKeyTVDCXWUWBWUCOD-UHFFFAOYSA-N
MW311.88 g/mol
LogP1.34
Rot. Bonds3

About [1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride

[1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride (PubChem CID 119969168) has the molecular formula C12H26ClN3O2S and a molecular weight of 311.88 g/mol. Its IUPAC name is [1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
PubChem CID119969168
Molecular FormulaC12H26ClN3O2S
Molecular Weight311.88 g/mol
Exact Mass311.14
IUPAC Name[1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C12H25N3O2S.ClH/c13-11-12-7-3-6-10-15(12)18(16,17)14-8-4-1-2-5-9-14;/h12H,1-11,13H2;1H
InChIKeyTVDCXWUWBWUCOD-UHFFFAOYSA-N
XLogP1.34
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(bromomethyl)piperidin-1-yl]sulfonylazepane
CID 80677173
1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol
CID 79560533
[(2R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl]methanol
CID 79028725
[(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine
CID 124835693
(4-methyl-1-piperidin-1-ylsulfonylpiperazin-2-yl)methanamine
CID 80506150
[(2R)-1-[(2S)-2-methylmorpholin-4-yl]sulfonylpiperidin-2-yl]methanamine
CID 124513908
(1-cyclohexylsulfonylpyrrolidin-2-yl)methanamine
CID 63765247
N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine
CID 63877744
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545984
2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119969104
1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545900
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-one
CID 79546293

Frequently Asked Questions

What is the IUPAC name of [1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride (CID 119969168) is [1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCCN1S(=O)(=O)N1CCCCCC1.
What is the InChIKey of [1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is TVDCXWUWBWUCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S.ClH/c13-11-12-7-3-6-10-15(12)18(16,17)14-8-4-1-2-5-9-14;/h12H,1-11,13H2;1H.
What are the key properties of [1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride?
[1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 311.88 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119969168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).