1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide

C14H16N2OS — CID 80599455

IUPAC1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)N(Cc2cccs2)C2CC2)CCC1
InChIInChI=1S/C14H16N2OS/c15-10-14(6-2-7-14)13(17)16(11-4-5-11)9-12-3-1-8-18-12/h1,3,8,11H,2,4-7,9H2
InChIKeyRTNPVXCOIIIDIK-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.93
Rot. Bonds4

About 1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide

1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 80599455) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
PubChem CID80599455
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)N(Cc2cccs2)C2CC2)CCC1
InChIInChI=1S/C14H16N2OS/c15-10-14(6-2-7-14)13(17)16(11-4-5-11)9-12-3-1-8-18-12/h1,3,8,11H,2,4-7,9H2
InChIKeyRTNPVXCOIIIDIK-UHFFFAOYSA-N
XLogP2.93
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54870594
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CID 78994707
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1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
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CID 175237620
N-cyclopropyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
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1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 80591845
N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
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CID 52571989

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide (CID 80599455) is 1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide is N#CC1(C(=O)N(Cc2cccs2)C2CC2)CCC1.
What is the InChIKey of 1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is RTNPVXCOIIIDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c15-10-14(6-2-7-14)13(17)16(11-4-5-11)9-12-3-1-8-18-12/h1,3,8,11H,2,4-7,9H2.
What are the key properties of 1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide?
1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80599455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).