N-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide

C11H20N2O2S — CID 80589974

IUPACN-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
SMILESCCCCN(CCO)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C11H20N2O2S/c1-2-3-6-13(7-8-14)10(15)11(4-5-11)9(12)16/h14H,2-8H2,1H3,(H2,12,16)
InChIKeyRCZVGWGTSPOXBK-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.67
Rot. Bonds7

About N-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide

N-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide (PubChem CID 80589974) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
PubChem CID80589974
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
SMILESCCCCN(CCO)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C11H20N2O2S/c1-2-3-6-13(7-8-14)10(15)11(4-5-11)9(12)16/h14H,2-8H2,1H3,(H2,12,16)
InChIKeyRCZVGWGTSPOXBK-UHFFFAOYSA-N
XLogP0.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 80590055
1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 55037634
N-butyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 80597081
1-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 107479789
1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide
CID 102993363
N-butan-2-yl-N-butyl-1-carbamothioylcyclopropane-1-carboxamide
CID 80589820
1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-N-propylcyclopropane-1-carboxamide
CID 80597605
1-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 107479788
1-[butyl(ethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097468
1-carbamothioyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cycloheptane-1-carboxamide
CID 107479760
1-carbamothioyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 107479763
4-carbamothioyl-N-[3-(dimethylamino)propyl]-N-ethyloxane-4-carboxamide
CID 102993346

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide (CID 80589974) is N-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide is CCCCN(CCO)C(=O)C1(C(N)=S)CC1.
What is the InChIKey of N-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
The InChIKey is RCZVGWGTSPOXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-2-3-6-13(7-8-14)10(15)11(4-5-11)9(12)16/h14H,2-8H2,1H3,(H2,12,16).
What are the key properties of N-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
N-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80589974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).