N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide

C13H20N2OS — CID 110698443

IUPACN-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCN(C)CCCNC(=O)C1(c2cccs2)CC1
InChIInChI=1S/C13H20N2OS/c1-15(2)9-4-8-14-12(16)13(6-7-13)11-5-3-10-17-11/h3,5,10H,4,6-9H2,1-2H3,(H,14,16)
InChIKeyQVCLPOLKKIRSFI-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.85
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide

N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 110698443) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID110698443
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCN(C)CCCNC(=O)C1(c2cccs2)CC1
InChIInChI=1S/C13H20N2OS/c1-15(2)9-4-8-14-12(16)13(6-7-13)11-5-3-10-17-11/h3,5,10H,4,6-9H2,1-2H3,(H,14,16)
InChIKeyQVCLPOLKKIRSFI-UHFFFAOYSA-N
XLogP1.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',N'-dimethyl-1-thiophen-2-ylcyclopropane-1-carbohydrazide
CID 116848288
6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid
CID 119220064
1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 112558134
N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide
CID 110437520
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437951
N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698469
1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea
CID 110706816
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110438073
N-[3-(furan-2-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90523795
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 113198628
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 121133140
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90598067

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 110698443) is N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide is CN(C)CCCNC(=O)C1(c2cccs2)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is QVCLPOLKKIRSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-15(2)9-4-8-14-12(16)13(6-7-13)11-5-3-10-17-11/h3,5,10H,4,6-9H2,1-2H3,(H,14,16).
What are the key properties of N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 110698443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).