N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide

C13H27N3O2S — CID 106630525

IUPACN-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide
SMILESCN(CC1CCCCN1)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C13H27N3O2S/c1-15(12-13-8-4-5-9-14-13)19(17,18)16-10-6-2-3-7-11-16/h13-14H,2-12H2,1H3
InChIKeyFTMCJRFGRIYFIE-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.18
Rot. Bonds4

About N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide

N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide (PubChem CID 106630525) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide
PubChem CID106630525
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide
SMILESCN(CC1CCCCN1)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C13H27N3O2S/c1-15(12-13-8-4-5-9-14-13)19(17,18)16-10-6-2-3-7-11-16/h13-14H,2-12H2,1H3
InChIKeyFTMCJRFGRIYFIE-UHFFFAOYSA-N
XLogP1.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide
CID 106607328
N-methyl-N-(piperidin-2-ylmethyl)morpholine-4-sulfonamide
CID 106630410
1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 55151116
N-methyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630421
N-ethyl-4-methyl-N-(piperidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106630251
N,2-dimethyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630556
N-methyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 63207373
N,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide
CID 106630591
N-(2-piperidin-1-ylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631959
N,N-dimethyl-1-piperidin-2-ylmethanamine;dihydrochloride
CID 45075192
2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630491
N-methyl-N-(piperidin-2-ylmethyl)cycloheptanecarboxamide
CID 106627288

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide?
The IUPAC name of N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide (CID 106630525) is N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide?
The canonical SMILES for N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide is CN(CC1CCCCN1)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide?
The InChIKey is FTMCJRFGRIYFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-15(12-13-8-4-5-9-14-13)19(17,18)16-10-6-2-3-7-11-16/h13-14H,2-12H2,1H3.
What are the key properties of N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide?
N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide has a molecular weight of 289.44 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide is sourced from PubChem (CID 106630525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).