(3R)-3-hydroxy-N-(1-methylcyclopropyl)pyrrolidine-1-carbothioamide

C9H16N2OS — CID 130891115

IUPAC(3R)-3-hydroxy-N-(1-methylcyclopropyl)pyrrolidine-1-carbothioamide
SMILESCC1(NC(=S)N2CC[C@@H](O)C2)CC1
InChIInChI=1S/C9H16N2OS/c1-9(3-4-9)10-8(13)11-5-2-7(12)6-11/h7,12H,2-6H2,1H3,(H,10,13)/t7-/m1/s1
InChIKeyOJUZJZUOXCJOLD-SSDOTTSWSA-N
MW200.31 g/mol
LogP0.48
Rot. Bonds1

About (3R)-3-hydroxy-N-(1-methylcyclopropyl)pyrrolidine-1-carbothioamide

(3R)-3-hydroxy-N-(1-methylcyclopropyl)pyrrolidine-1-carbothioamide (PubChem CID 130891115) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-(1-methylcyclopropyl)pyrrolidine-1-carbothioamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-(1-methylcyclopropyl)pyrrolidine-1-carbothioamide
PubChem CID130891115
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name(3R)-3-hydroxy-N-(1-methylcyclopropyl)pyrrolidine-1-carbothioamide
SMILESCC1(NC(=S)N2CC[C@@H](O)C2)CC1
InChIInChI=1S/C9H16N2OS/c1-9(3-4-9)10-8(13)11-5-2-7(12)6-11/h7,12H,2-6H2,1H3,(H,10,13)/t7-/m1/s1
InChIKeyOJUZJZUOXCJOLD-SSDOTTSWSA-N
XLogP0.48
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
CID 130162770
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
CID 110027381
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
[(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 107217447
3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide
CID 115871819
1-(3-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one
CID 91486972
(3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide
CID 8669560
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone
CID 81002095
1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166354
3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 107214281
(3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 89196877

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-(1-methylcyclopropyl)pyrrolidine-1-carbothioamide?
The IUPAC name of (3R)-3-hydroxy-N-(1-methylcyclopropyl)pyrrolidine-1-carbothioamide (CID 130891115) is (3R)-3-hydroxy-N-(1-methylcyclopropyl)pyrrolidine-1-carbothioamide.
What is the SMILES notation for (3R)-3-hydroxy-N-(1-methylcyclopropyl)pyrrolidine-1-carbothioamide?
The canonical SMILES for (3R)-3-hydroxy-N-(1-methylcyclopropyl)pyrrolidine-1-carbothioamide is CC1(NC(=S)N2CC[C@@H](O)C2)CC1.
What is the InChIKey of (3R)-3-hydroxy-N-(1-methylcyclopropyl)pyrrolidine-1-carbothioamide?
The InChIKey is OJUZJZUOXCJOLD-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-9(3-4-9)10-8(13)11-5-2-7(12)6-11/h7,12H,2-6H2,1H3,(H,10,13)/t7-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-(1-methylcyclopropyl)pyrrolidine-1-carbothioamide?
(3R)-3-hydroxy-N-(1-methylcyclopropyl)pyrrolidine-1-carbothioamide has a molecular weight of 200.31 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-(1-methylcyclopropyl)pyrrolidine-1-carbothioamide is sourced from PubChem (CID 130891115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).