3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide

C10H20N2O2S — CID 111444197

IUPAC3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide
SMILESCSCC(C)NC(=O)N1CCC(CO)C1
InChIInChI=1S/C10H20N2O2S/c1-8(7-15-2)11-10(14)12-4-3-9(5-12)6-13/h8-9,13H,3-7H2,1-2H3,(H,11,14)
InChIKeyGTAMAVKNMRUVNO-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.76
Rot. Bonds4

About 3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 111444197) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide
PubChem CID111444197
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide
SMILESCSCC(C)NC(=O)N1CCC(CO)C1
InChIInChI=1S/C10H20N2O2S/c1-8(7-15-2)11-10(14)12-4-3-9(5-12)6-13/h8-9,13H,3-7H2,1-2H3,(H,11,14)
InChIKeyGTAMAVKNMRUVNO-UHFFFAOYSA-N
XLogP0.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
CID 111443461
2-[1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 113472935
N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71868197
4-(hydroxymethyl)-N-(6-methylheptan-2-yl)piperidine-1-carboxamide
CID 110894480
(3S)-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104863169
N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111414506
(3S)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95969414
(3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97328185
3-hydroxy-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 112626765
(2R)-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 113356014
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide
CID 130668438

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide (CID 111444197) is 3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide is CSCC(C)NC(=O)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is GTAMAVKNMRUVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-8(7-15-2)11-10(14)12-4-3-9(5-12)6-13/h8-9,13H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 232.35 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111444197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).