1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide

C10H18N2O3S — CID 80590055

IUPAC1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide
SMILESNC(=S)C1(C(=O)N(CCO)CCO)CCC1
InChIInChI=1S/C10H18N2O3S/c11-8(16)10(2-1-3-10)9(15)12(4-6-13)5-7-14/h13-14H,1-7H2,(H2,11,16)
InChIKeyLYZUDHVCIPQAFA-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.74
Rot. Bonds6

About 1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide

1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide (PubChem CID 80590055) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide
PubChem CID80590055
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide
SMILESNC(=S)C1(C(=O)N(CCO)CCO)CCC1
InChIInChI=1S/C10H18N2O3S/c11-8(16)10(2-1-3-10)9(15)12(4-6-13)5-7-14/h13-14H,1-7H2,(H2,11,16)
InChIKeyLYZUDHVCIPQAFA-UHFFFAOYSA-N
XLogP-0.74
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)cyclopentane-1-carboxamide
CID 55037634
1-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 107479788
N-butyl-1-carbamothioyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 80589974
1-carbamothioyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 107479763
1-carbamothioyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cycloheptane-1-carboxamide
CID 107479760
1-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 107479789
N-butyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 80597081
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 76920095
1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide
CID 105418040
1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)cycloheptane-1-carboxamide
CID 104861721
1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide
CID 102993363
ethyl 2-[(1-carbamothioylcyclobutanecarbonyl)-methylamino]acetate
CID 80589048

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide (CID 80590055) is 1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide is NC(=S)C1(C(=O)N(CCO)CCO)CCC1.
What is the InChIKey of 1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide?
The InChIKey is LYZUDHVCIPQAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c11-8(16)10(2-1-3-10)9(15)12(4-6-13)5-7-14/h13-14H,1-7H2,(H2,11,16).
What are the key properties of 1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide?
1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide has a molecular weight of 246.33 g/mol, XLogP of -0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80590055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).