N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine

C15H29N3O2S — CID 63880154

IUPACN-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESO=S(=O)(N1CCCCCC1)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C15H29N3O2S/c19-21(20,17-9-3-1-2-4-10-17)18-11-5-6-14(13-18)12-16-15-7-8-15/h14-16H,1-13H2
InChIKeyKCFIZUVLKKBHDN-UHFFFAOYSA-N
MW315.48 g/mol
LogP1.57
Rot. Bonds5

About N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine

N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 63880154) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine
PubChem CID63880154
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC NameN-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESO=S(=O)(N1CCCCCC1)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C15H29N3O2S/c19-21(20,17-9-3-1-2-4-10-17)18-11-5-6-14(13-18)12-16-15-7-8-15/h14-16H,1-13H2
InChIKeyKCFIZUVLKKBHDN-UHFFFAOYSA-N
XLogP1.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
CID 63855301
3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106091198
N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977537
propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate
CID 114467189
1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine
CID 60820122
3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106054051
N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 63880145
3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
CID 81064046
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine
CID 63878245
N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
CID 63855296
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine
CID 63878417
2-[1-(azepan-1-ylsulfonyl)pyrrolidin-3-yl]ethanamine
CID 114802300

Frequently Asked Questions

What is the IUPAC name of N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine (CID 63880154) is N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine is O=S(=O)(N1CCCCCC1)N1CCCC(CNC2CC2)C1.
What is the InChIKey of N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is KCFIZUVLKKBHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c19-21(20,17-9-3-1-2-4-10-17)18-11-5-6-14(13-18)12-16-15-7-8-15/h14-16H,1-13H2.
What are the key properties of N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 315.48 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63880154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).