1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide

C10H16N2O2S — CID 103356137

IUPAC1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide
SMILESCC1(O)CCN(C(=O)C2(C(N)=S)CC2)C1
InChIInChI=1S/C10H16N2O2S/c1-9(14)4-5-12(6-9)8(13)10(2-3-10)7(11)15/h14H,2-6H2,1H3,(H2,11,15)
InChIKeyJHHPVJDNTISFJY-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.04
Rot. Bonds2

About 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide

1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide (PubChem CID 103356137) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide
PubChem CID103356137
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide
SMILESCC1(O)CCN(C(=O)C2(C(N)=S)CC2)C1
InChIInChI=1S/C10H16N2O2S/c1-9(14)4-5-12(6-9)8(13)10(2-3-10)7(11)15/h14H,2-6H2,1H3,(H2,11,15)
InChIKeyJHHPVJDNTISFJY-UHFFFAOYSA-N
XLogP0.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.04
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

bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 150880281
1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide
CID 107392678
1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide
CID 126980533
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide
CID 102743896
[1-(aminomethyl)cyclopentyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355739
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cyclopropane-1-carbothioamide
CID 115559910
4-(4,4-dimethylazepane-1-carbonyl)oxane-4-carbothioamide
CID 65281063
2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355859
1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 80590062
[1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355744
1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclobutane-1-carbothioamide
CID 114536931
1-(4-cyclopropylpiperazine-1-carbonyl)cyclobutane-1-carbothioamide
CID 80589211

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide?
The IUPAC name of 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide (CID 103356137) is 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide.
What is the SMILES notation for 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide?
The canonical SMILES for 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide is CC1(O)CCN(C(=O)C2(C(N)=S)CC2)C1.
What is the InChIKey of 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide?
The InChIKey is JHHPVJDNTISFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-9(14)4-5-12(6-9)8(13)10(2-3-10)7(11)15/h14H,2-6H2,1H3,(H2,11,15).
What are the key properties of 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide?
1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide has a molecular weight of 228.32 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide is sourced from PubChem (CID 103356137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).