N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide

C10H17N3O2S — CID 106345625

IUPACN-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide
SMILESCC(C)C(NC(=O)C1(C(N)=S)CC1)C(N)=O
InChIInChI=1S/C10H17N3O2S/c1-5(2)6(7(11)14)13-9(15)10(3-4-10)8(12)16/h5-6H,3-4H2,1-2H3,(H2,11,14)(H2,12,16)(H,13,15)
InChIKeyWZVRCPFSDDXDBG-UHFFFAOYSA-N
MW243.33 g/mol
LogP-0.32
Rot. Bonds5

About N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide

N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide (PubChem CID 106345625) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide
PubChem CID106345625
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide
SMILESCC(C)C(NC(=O)C1(C(N)=S)CC1)C(N)=O
InChIInChI=1S/C10H17N3O2S/c1-5(2)6(7(11)14)13-9(15)10(3-4-10)8(12)16/h5-6H,3-4H2,1-2H3,(H2,11,14)(H2,12,16)(H,13,15)
InChIKeyWZVRCPFSDDXDBG-UHFFFAOYSA-N
XLogP-0.32
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
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-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 80592521
methyl 2-[(1-carbamothioylcyclobutanecarbonyl)amino]-3-methylbutanoate
CID 80589000
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 106346880
1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106344921
1-carbamothioyl-N-(3,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide
CID 104828379
2-(aminocarbamothioylamino)-3-methylbutanamide
CID 106346207
3-methyl-2-(propan-2-ylcarbamothioylamino)butanamide
CID 106344675
1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 80589003
1-carbamothioyl-N-(3-ethylpentan-2-yl)cyclohexane-1-carboxamide
CID 63836744
1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
CID 80589392
1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 80590171
1-carbamothioyl-N-[1-(4-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 80589221

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide (CID 106345625) is N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide is CC(C)C(NC(=O)C1(C(N)=S)CC1)C(N)=O.
What is the InChIKey of N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide?
The InChIKey is WZVRCPFSDDXDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-5(2)6(7(11)14)13-9(15)10(3-4-10)8(12)16/h5-6H,3-4H2,1-2H3,(H2,11,14)(H2,12,16)(H,13,15).
What are the key properties of N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide?
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide has a molecular weight of 243.33 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide is sourced from PubChem (CID 106345625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).