4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane

C14H24N4O2S — CID 70787701

IUPAC4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane
SMILESCN(C)S(=O)(=O)NC1CCCN(Cc2ccccn2)CC1
InChIInChI=1S/C14H24N4O2S/c1-17(2)21(19,20)16-13-7-5-10-18(11-8-13)12-14-6-3-4-9-15-14/h3-4,6,9,13,16H,5,7-8,10-12H2,1-2H3
InChIKeyCWKRATWTYDKFTH-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.83
Rot. Bonds5

About 4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane

4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane (PubChem CID 70787701) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane
PubChem CID70787701
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane
SMILESCN(C)S(=O)(=O)NC1CCCN(Cc2ccccn2)CC1
InChIInChI=1S/C14H24N4O2S/c1-17(2)21(19,20)16-13-7-5-10-18(11-8-13)12-14-6-3-4-9-15-14/h3-4,6,9,13,16H,5,7-8,10-12H2,1-2H3
InChIKeyCWKRATWTYDKFTH-UHFFFAOYSA-N
XLogP0.83
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide
CID 138047369
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797
N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide
CID 95211899
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine
CID 53498601
(3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine
CID 95322592

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane?
The IUPAC name of 4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane (CID 70787701) is 4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane?
The canonical SMILES for 4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane is CN(C)S(=O)(=O)NC1CCCN(Cc2ccccn2)CC1.
What is the InChIKey of 4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane?
The InChIKey is CWKRATWTYDKFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-17(2)21(19,20)16-13-7-5-10-18(11-8-13)12-14-6-3-4-9-15-14/h3-4,6,9,13,16H,5,7-8,10-12H2,1-2H3.
What are the key properties of 4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane?
4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane has a molecular weight of 312.44 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane is sourced from PubChem (CID 70787701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).