3-(methanesulfonamido)pyrrolidine-1-carboxamide

C6H13N3O3S — CID 130775990

IUPAC3-(methanesulfonamido)pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)NC1CCN(C(N)=O)C1
InChIInChI=1S/C6H13N3O3S/c1-13(11,12)8-5-2-3-9(4-5)6(7)10/h5,8H,2-4H2,1H3,(H2,7,10)
InChIKeyRQMSOUHEIXRLMJ-UHFFFAOYSA-N
MW207.25 g/mol
LogP-1.31
Rot. Bonds2

About 3-(methanesulfonamido)pyrrolidine-1-carboxamide

3-(methanesulfonamido)pyrrolidine-1-carboxamide (PubChem CID 130775990) has the molecular formula C6H13N3O3S and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-(methanesulfonamido)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(methanesulfonamido)pyrrolidine-1-carboxamide
PubChem CID130775990
Molecular FormulaC6H13N3O3S
Molecular Weight207.25 g/mol
Exact Mass207.07
IUPAC Name3-(methanesulfonamido)pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)NC1CCN(C(N)=O)C1
InChIInChI=1S/C6H13N3O3S/c1-13(11,12)8-5-2-3-9(4-5)6(7)10/h5,8H,2-4H2,1H3,(H2,7,10)
InChIKeyRQMSOUHEIXRLMJ-UHFFFAOYSA-N
XLogP-1.31
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(methanesulfonamido)pyrrolidine-1-carboxamide (CID 130775990) is 3-(methanesulfonamido)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(methanesulfonamido)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(methanesulfonamido)pyrrolidine-1-carboxamide is CS(=O)(=O)NC1CCN(C(N)=O)C1.
What is the InChIKey of 3-(methanesulfonamido)pyrrolidine-1-carboxamide?
The InChIKey is RQMSOUHEIXRLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3S/c1-13(11,12)8-5-2-3-9(4-5)6(7)10/h5,8H,2-4H2,1H3,(H2,7,10).
What are the key properties of 3-(methanesulfonamido)pyrrolidine-1-carboxamide?
3-(methanesulfonamido)pyrrolidine-1-carboxamide has a molecular weight of 207.25 g/mol, XLogP of -1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)pyrrolidine-1-carboxamide is sourced from PubChem (CID 130775990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).