N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide

C13H19NOS — CID 110698469

IUPACN-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCCCCN(C)C(=O)C1(c2cccs2)CC1
InChIInChI=1S/C13H19NOS/c1-3-4-9-14(2)12(15)13(7-8-13)11-6-5-10-16-11/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyFMVHLBVLASUVMY-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.04
Rot. Bonds5

About N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide

N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 110698469) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID110698469
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCCCCN(C)C(=O)C1(c2cccs2)CC1
InChIInChI=1S/C13H19NOS/c1-3-4-9-14(2)12(15)13(7-8-13)11-6-5-10-16-11/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyFMVHLBVLASUVMY-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 110698469) is N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide is CCCCN(C)C(=O)C1(c2cccs2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is FMVHLBVLASUVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-3-4-9-14(2)12(15)13(7-8-13)11-6-5-10-16-11/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 237.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 110698469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).