N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide

C14H19N3O2S — CID 71931543

IUPACN-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
SMILESO=C(NC1CC1)N1CCCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H19N3O2S/c18-13(12-3-1-10-20-12)16-6-2-7-17(9-8-16)14(19)15-11-4-5-11/h1,3,10-11H,2,4-9H2,(H,15,19)
InChIKeyQCTKXWYUPQIPCJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.77
Rot. Bonds2

About N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide

N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide (PubChem CID 71931543) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
PubChem CID71931543
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
SMILESO=C(NC1CC1)N1CCCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H19N3O2S/c18-13(12-3-1-10-20-12)16-6-2-7-17(9-8-16)14(19)15-11-4-5-11/h1,3,10-11H,2,4-9H2,(H,15,19)
InChIKeyQCTKXWYUPQIPCJ-UHFFFAOYSA-N
XLogP1.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 97212820
N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
N-cyclohexyl-4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxamide
CID 110346795
2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 110820141
N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 31991213
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110813453
N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 51186037
[3-(cyclopentylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83999954
N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511039

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide (CID 71931543) is N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide is O=C(NC1CC1)N1CCCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide?
The InChIKey is QCTKXWYUPQIPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-13(12-3-1-10-20-12)16-6-2-7-17(9-8-16)14(19)15-11-4-5-11/h1,3,10-11H,2,4-9H2,(H,15,19).
What are the key properties of N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide?
N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 71931543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).