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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Related Compounds

N-Allyl-N-ethyl(1R,2R)-2-(Aminomethyl)-1-(2-thienyl)cyclopropanecarboxamide
CID 25150535
N-Ethyl-N-propargyl (1R,2R)-2-(Aminomethyl)-1-(2-thienyl)cyclopropanecarboxamide
CID 25150627
N,N-Dipropargyl (1R,2R)-2-(Aminomethyl)-1-(2-thienyl)cyclopropanecarboxamide
CID 25150628
cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 25150711
(1R,2R)-2-(aminomethyl)-N,N-diethyl-1-(thiophen-2-yl)cyclopropanecarboxamide
CID 44448582
N-methyl-N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 57576970
N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 60236671
N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 71449606
N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 121446738
N,N-Diallyl (1R,2R)-2-(Aminomethyl)-1-(2-thienyl)cyclopropanecarbamide
CID 25150621
N-Allyl-N-cyclopropyl (1R,2R)-2-(Aminomethyl)-1-(2-thienyl)-cyclopropanecarboxamide
CID 25150624
cis-(1S,2S)-2-(aminomethyl)-N,N-diethyl-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 49797285

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).