N-butyl-1-carbamothioyl-N-cyclopropylcyclopentane-1-carboxamide

C14H24N2OS — CID 55037725

IUPACN-butyl-1-carbamothioyl-N-cyclopropylcyclopentane-1-carboxamide
SMILESCCCCN(C(=O)C1(C(N)=S)CCCC1)C1CC1
InChIInChI=1S/C14H24N2OS/c1-2-3-10-16(11-6-7-11)13(17)14(12(15)18)8-4-5-9-14/h11H,2-10H2,1H3,(H2,15,18)
InChIKeyBHCGZLWYNCZPGX-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.62
Rot. Bonds6

About N-butyl-1-carbamothioyl-N-cyclopropylcyclopentane-1-carboxamide

N-butyl-1-carbamothioyl-N-cyclopropylcyclopentane-1-carboxamide (PubChem CID 55037725) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-butyl-1-carbamothioyl-N-cyclopropylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-1-carbamothioyl-N-cyclopropylcyclopentane-1-carboxamide
PubChem CID55037725
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-butyl-1-carbamothioyl-N-cyclopropylcyclopentane-1-carboxamide
SMILESCCCCN(C(=O)C1(C(N)=S)CCCC1)C1CC1
InChIInChI=1S/C14H24N2OS/c1-2-3-10-16(11-6-7-11)13(17)14(12(15)18)8-4-5-9-14/h11H,2-10H2,1H3,(H2,15,18)
InChIKeyBHCGZLWYNCZPGX-UHFFFAOYSA-N
XLogP2.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-carbamothioyl-N-cyclopropylcyclopentane-1-carboxamide?
The IUPAC name of N-butyl-1-carbamothioyl-N-cyclopropylcyclopentane-1-carboxamide (CID 55037725) is N-butyl-1-carbamothioyl-N-cyclopropylcyclopentane-1-carboxamide.
What is the SMILES notation for N-butyl-1-carbamothioyl-N-cyclopropylcyclopentane-1-carboxamide?
The canonical SMILES for N-butyl-1-carbamothioyl-N-cyclopropylcyclopentane-1-carboxamide is CCCCN(C(=O)C1(C(N)=S)CCCC1)C1CC1.
What is the InChIKey of N-butyl-1-carbamothioyl-N-cyclopropylcyclopentane-1-carboxamide?
The InChIKey is BHCGZLWYNCZPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-2-3-10-16(11-6-7-11)13(17)14(12(15)18)8-4-5-9-14/h11H,2-10H2,1H3,(H2,15,18).
What are the key properties of N-butyl-1-carbamothioyl-N-cyclopropylcyclopentane-1-carboxamide?
N-butyl-1-carbamothioyl-N-cyclopropylcyclopentane-1-carboxamide has a molecular weight of 268.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-carbamothioyl-N-cyclopropylcyclopentane-1-carboxamide is sourced from PubChem (CID 55037725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).