(6R)-N,N-dimethyl-1-methylsulfonyl-1,4-diazepane-6-carboxamide

C9H19N3O3S — CID 95804963

IUPAC(6R)-N,N-dimethyl-1-methylsulfonyl-1,4-diazepane-6-carboxamide
SMILESCN(C)C(=O)[C@@H]1CNCCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H19N3O3S/c1-11(2)9(13)8-6-10-4-5-12(7-8)16(3,14)15/h8,10H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyBUVGKDSUZMRTEI-MRVPVSSYSA-N
MW249.34 g/mol
LogP-1.44
Rot. Bonds2

About (6R)-N,N-dimethyl-1-methylsulfonyl-1,4-diazepane-6-carboxamide

(6R)-N,N-dimethyl-1-methylsulfonyl-1,4-diazepane-6-carboxamide (PubChem CID 95804963) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is (6R)-N,N-dimethyl-1-methylsulfonyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6R)-N,N-dimethyl-1-methylsulfonyl-1,4-diazepane-6-carboxamide
PubChem CID95804963
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name(6R)-N,N-dimethyl-1-methylsulfonyl-1,4-diazepane-6-carboxamide
SMILESCN(C)C(=O)[C@@H]1CNCCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H19N3O3S/c1-11(2)9(13)8-6-10-4-5-12(7-8)16(3,14)15/h8,10H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyBUVGKDSUZMRTEI-MRVPVSSYSA-N
XLogP-1.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1,4-diazepane-6-carboxamide
CID 23090095
(6R)-N,N-dimethyl-1-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 95804991
N,N-dimethylazetidine-3-carboxamide;hydrochloride
CID 53308702
cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide
CID 177005866
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
1-methylsulfonylpiperazine
CID 709161
N,N-dimethyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 63005583
N,N-dimethyl-1-sulfamoylpiperazine-2-carboxamide
CID 114959382
(3R)-1-(dimethylsulfamoyl)-N,N-dimethylpiperidine-3-carboxamide
CID 92684694
1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide
CID 90513001
(6R)-N,N-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonyl-1,4-diazepane-6-carboxamide
CID 124957197
(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
CID 95804037

Frequently Asked Questions

What is the IUPAC name of (6R)-N,N-dimethyl-1-methylsulfonyl-1,4-diazepane-6-carboxamide?
The IUPAC name of (6R)-N,N-dimethyl-1-methylsulfonyl-1,4-diazepane-6-carboxamide (CID 95804963) is (6R)-N,N-dimethyl-1-methylsulfonyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6R)-N,N-dimethyl-1-methylsulfonyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6R)-N,N-dimethyl-1-methylsulfonyl-1,4-diazepane-6-carboxamide is CN(C)C(=O)[C@@H]1CNCCN(S(C)(=O)=O)C1.
What is the InChIKey of (6R)-N,N-dimethyl-1-methylsulfonyl-1,4-diazepane-6-carboxamide?
The InChIKey is BUVGKDSUZMRTEI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-11(2)9(13)8-6-10-4-5-12(7-8)16(3,14)15/h8,10H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (6R)-N,N-dimethyl-1-methylsulfonyl-1,4-diazepane-6-carboxamide?
(6R)-N,N-dimethyl-1-methylsulfonyl-1,4-diazepane-6-carboxamide has a molecular weight of 249.34 g/mol, XLogP of -1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N,N-dimethyl-1-methylsulfonyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 95804963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).