1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide

C15H26N2OS — CID 80591161

IUPAC1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)CCN(C(=O)C1(C(N)=S)CC1)C1CCCC1
InChIInChI=1S/C15H26N2OS/c1-11(2)7-10-17(12-5-3-4-6-12)14(18)15(8-9-15)13(16)19/h11-12H,3-10H2,1-2H3,(H2,16,19)
InChIKeyMHVZXNUMSABTSE-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.87
Rot. Bonds6

About 1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide (PubChem CID 80591161) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide
PubChem CID80591161
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)CCN(C(=O)C1(C(N)=S)CC1)C1CCCC1
InChIInChI=1S/C15H26N2OS/c1-11(2)7-10-17(12-5-3-4-6-12)14(18)15(8-9-15)13(16)19/h11-12H,3-10H2,1-2H3,(H2,16,19)
InChIKeyMHVZXNUMSABTSE-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-carbamothioyl-N-cyclopropyl-N-(3-methylbutyl)cycloheptane-1-carboxamide
CID 78977160
1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide
CID 80589688
N-cyclopentyl-2-ethyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 83074108
1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 80589572
(2R)-2-amino-N-cyclopentyl-N-(3-methylbutyl)pentanamide
CID 103795443
1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine
CID 78967131
1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea
CID 116656765
3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea
CID 115642218
4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide
CID 78977172
3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide
CID 64892755
1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide
CID 107398769
2-amino-N-cyclopentyl-3-methoxy-N-(3-methylbutyl)propanamide
CID 81101488

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide (CID 80591161) is 1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide is CC(C)CCN(C(=O)C1(C(N)=S)CC1)C1CCCC1.
What is the InChIKey of 1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The InChIKey is MHVZXNUMSABTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-11(2)7-10-17(12-5-3-4-6-12)14(18)15(8-9-15)13(16)19/h11-12H,3-10H2,1-2H3,(H2,16,19).
What are the key properties of 1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide has a molecular weight of 282.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80591161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).