N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide

C16H24N2O3S — CID 16662252

IUPACN-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(C(=O)N2CCCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-17(22(2,20)21)13-14-7-9-15(10-8-14)16(19)18-11-5-3-4-6-12-18/h7-10H,3-6,11-13H2,1-2H3
InChIKeyUITVUETUBFCHKU-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.09
Rot. Bonds4

About N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide

N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide (PubChem CID 16662252) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide
PubChem CID16662252
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(C(=O)N2CCCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-17(22(2,20)21)13-14-7-9-15(10-8-14)16(19)18-11-5-3-4-6-12-18/h7-10H,3-6,11-13H2,1-2H3
InChIKeyUITVUETUBFCHKU-UHFFFAOYSA-N
XLogP2.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 50946897
4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278707
N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 23770767
4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide
CID 50777606
[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 111336420
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777828
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 17201100
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
methyl 4-[[methyl(methylsulfonyl)amino]methyl]benzoate
CID 54485631
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990

Frequently Asked Questions

What is the IUPAC name of N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide (CID 16662252) is N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide is CN(Cc1ccc(C(=O)N2CCCCCC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide?
The InChIKey is UITVUETUBFCHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-17(22(2,20)21)13-14-7-9-15(10-8-14)16(19)18-11-5-3-4-6-12-18/h7-10H,3-6,11-13H2,1-2H3.
What are the key properties of N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide?
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 16662252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).