N-[3-(methanesulfonamido)propyl]pyrrolidine-2-carboxamide

C9H19N3O3S — CID 91417034

IUPACN-[3-(methanesulfonamido)propyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)C1CCCN1
InChIInChI=1S/C9H19N3O3S/c1-16(14,15)12-7-3-6-11-9(13)8-4-2-5-10-8/h8,10,12H,2-7H2,1H3,(H,11,13)
InChIKeyOYAMKQHVVZQNEQ-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.21
Rot. Bonds6

About N-[3-(methanesulfonamido)propyl]pyrrolidine-2-carboxamide

N-[3-(methanesulfonamido)propyl]pyrrolidine-2-carboxamide (PubChem CID 91417034) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]pyrrolidine-2-carboxamide
PubChem CID91417034
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC NameN-[3-(methanesulfonamido)propyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)C1CCCN1
InChIInChI=1S/C9H19N3O3S/c1-16(14,15)12-7-3-6-11-9(13)8-4-2-5-10-8/h8,10,12H,2-7H2,1H3,(H,11,13)
InChIKeyOYAMKQHVVZQNEQ-UHFFFAOYSA-N
XLogP-1.21
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]pyrrolidine-2-carboxamide (CID 91417034) is N-[3-(methanesulfonamido)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]pyrrolidine-2-carboxamide is CS(=O)(=O)NCCCNC(=O)C1CCCN1.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]pyrrolidine-2-carboxamide?
The InChIKey is OYAMKQHVVZQNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-16(14,15)12-7-3-6-11-9(13)8-4-2-5-10-8/h8,10,12H,2-7H2,1H3,(H,11,13).
What are the key properties of N-[3-(methanesulfonamido)propyl]pyrrolidine-2-carboxamide?
N-[3-(methanesulfonamido)propyl]pyrrolidine-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of -1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91417034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).