2-methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide

C8H17N3O2S2 — CID 61119054

IUPAC2-methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide
SMILESCC(C)(NS(=O)(=O)N1CCCC1)C(N)=S
InChIInChI=1S/C8H17N3O2S2/c1-8(2,7(9)14)10-15(12,13)11-5-3-4-6-11/h10H,3-6H2,1-2H3,(H2,9,14)
InChIKeyOVKVLSNDRYUNOB-UHFFFAOYSA-N
MW251.38 g/mol
LogP-0.02
Rot. Bonds4

About 2-methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide

2-methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide (PubChem CID 61119054) has the molecular formula C8H17N3O2S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 2-methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide.

Molecular Properties

Compound Name2-methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide
PubChem CID61119054
Molecular FormulaC8H17N3O2S2
Molecular Weight251.38 g/mol
Exact Mass251.08
IUPAC Name2-methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide
SMILESCC(C)(NS(=O)(=O)N1CCCC1)C(N)=S
InChIInChI=1S/C8H17N3O2S2/c1-8(2,7(9)14)10-15(12,13)11-5-3-4-6-11/h10H,3-6H2,1-2H3,(H2,9,14)
InChIKeyOVKVLSNDRYUNOB-UHFFFAOYSA-N
XLogP-0.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 5-0.02
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

N-tert-butylpyrrolidine-1-sulfonamide
CID 60723568
3-[Methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide
CID 28785099
3-[Ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanethioamide
CID 54987330
3-[Propan-2-yl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide
CID 54998048
2-(Diethylsulfamoylamino)-2-methylpropanethioamide
CID 61118852
2-(Diethylsulfamoylamino)-2-methylbutanethioamide
CID 61122681
2-Methyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide
CID 61122884
2-(Pyrrolidin-1-ylsulfonylamino)pentanethioamide
CID 61123062
2-(Pyrrolidin-1-ylsulfonylamino)propanethioamide
CID 61123440
2-(Pyrrolidin-1-ylsulfonylamino)butanethioamide
CID 61124443
N-(1-amino-2-methylpropan-2-yl)pyrrolidine-1-sulfonamide
CID 61124545
2-Ethyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide
CID 61124685

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide?
The IUPAC name of 2-methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide (CID 61119054) is 2-methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide.
What is the SMILES notation for 2-methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide?
The canonical SMILES for 2-methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide is CC(C)(NS(=O)(=O)N1CCCC1)C(N)=S.
What is the InChIKey of 2-methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide?
The InChIKey is OVKVLSNDRYUNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S2/c1-8(2,7(9)14)10-15(12,13)11-5-3-4-6-11/h10H,3-6H2,1-2H3,(H2,9,14).
What are the key properties of 2-methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide?
2-methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide has a molecular weight of 251.38 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide is sourced from PubChem (CID 61119054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).