N,1-dimethyl-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide

C14H21N3O2S — CID 110098408

IUPACN,1-dimethyl-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide
SMILESCNC(=O)C1CN(C)CCN(C(=O)c2ccc(C)s2)C1
InChIInChI=1S/C14H21N3O2S/c1-10-4-5-12(20-10)14(19)17-7-6-16(3)8-11(9-17)13(18)15-2/h4-5,11H,6-9H2,1-3H3,(H,15,18)
InChIKeyGVMSTNYHKYBHGU-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.81
Rot. Bonds2

About N,1-dimethyl-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide

N,1-dimethyl-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide (PubChem CID 110098408) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N,1-dimethyl-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide
PubChem CID110098408
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN,1-dimethyl-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide
SMILESCNC(=O)C1CN(C)CCN(C(=O)c2ccc(C)s2)C1
InChIInChI=1S/C14H21N3O2S/c1-10-4-5-12(20-10)14(19)17-7-6-16(3)8-11(9-17)13(18)15-2/h4-5,11H,6-9H2,1-3H3,(H,15,18)
InChIKeyGVMSTNYHKYBHGU-UHFFFAOYSA-N
XLogP0.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
[3-(methylamino)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119413764
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
(6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 125011280
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
(6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide
CID 125022126
(6S)-1-acetyl-N-methyl-4-(thiophene-3-carbonyl)-1,4-diazepane-6-carboxamide
CID 124951956
1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918252
N,1-dimethyl-4-(3-thiophen-2-ylpropanoyl)-1,4-diazepane-6-carboxamide
CID 110107458
(6R)-N,1-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)acetyl]-1,4-diazepane-6-carboxamide
CID 124943658
N,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 110098413
(6R)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 124961535

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide?
The IUPAC name of N,1-dimethyl-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide (CID 110098408) is N,1-dimethyl-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide?
The canonical SMILES for N,1-dimethyl-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide is CNC(=O)C1CN(C)CCN(C(=O)c2ccc(C)s2)C1.
What is the InChIKey of N,1-dimethyl-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide?
The InChIKey is GVMSTNYHKYBHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10-4-5-12(20-10)14(19)17-7-6-16(3)8-11(9-17)13(18)15-2/h4-5,11H,6-9H2,1-3H3,(H,15,18).
What are the key properties of N,1-dimethyl-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide?
N,1-dimethyl-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 110098408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).