3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide

C8H17N3O2S2 — CID 28785099

IUPAC3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide
SMILESCN(CCC(N)=S)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H17N3O2S2/c1-10(7-4-8(9)14)15(12,13)11-5-2-3-6-11/h2-7H2,1H3,(H2,9,14)
InChIKeyMVFZCFMWGZSFDU-UHFFFAOYSA-N
MW251.38 g/mol
LogP-0.06
Rot. Bonds5

About 3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide

3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide (PubChem CID 28785099) has the molecular formula C8H17N3O2S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide
PubChem CID28785099
Molecular FormulaC8H17N3O2S2
Molecular Weight251.38 g/mol
Exact Mass251.08
IUPAC Name3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide
SMILESCN(CCC(N)=S)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H17N3O2S2/c1-10(7-4-8(9)14)15(12,13)11-5-2-3-6-11/h2-7H2,1H3,(H2,9,14)
InChIKeyMVFZCFMWGZSFDU-UHFFFAOYSA-N
XLogP-0.06
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-methylpyrrolidine-1-sulfonamide
CID 28783225
3-[Diethylsulfamoyl(methyl)amino]propanethioamide
CID 28785108
N-(3-aminopropyl)-N-ethylpyrrolidine-1-sulfonamide
CID 43136911
N-(3-aminopropyl)-N-propylpyrrolidine-1-sulfonamide
CID 43136934
3-[Ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanethioamide
CID 54987330
3-[Diethylsulfamoyl(ethyl)amino]-2-methylpropanethioamide
CID 54988016
3-[Cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide
CID 54997332
3-[Diethylsulfamoyl(propan-2-yl)amino]propanethioamide
CID 54997999
3-[Propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide
CID 54998048
3-[[Methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanethioamide
CID 54998289
2-Methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide
CID 61119054
2-Methyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide
CID 61122884

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide?
The IUPAC name of 3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide (CID 28785099) is 3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide.
What is the SMILES notation for 3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide?
The canonical SMILES for 3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide is CN(CCC(N)=S)S(=O)(=O)N1CCCC1.
What is the InChIKey of 3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide?
The InChIKey is MVFZCFMWGZSFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S2/c1-10(7-4-8(9)14)15(12,13)11-5-2-3-6-11/h2-7H2,1H3,(H2,9,14).
What are the key properties of 3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide?
3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide has a molecular weight of 251.38 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide is sourced from PubChem (CID 28785099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).