(2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide

C10H21N3O3S — CID 97308164

IUPAC(2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC[C@@H]1CS(N)(=O)=O
InChIInChI=1S/C10H21N3O3S/c1-2-3-6-12-10(14)13-7-4-5-9(13)8-17(11,15)16/h9H,2-8H2,1H3,(H,12,14)(H2,11,15,16)/t9-/m1/s1
InChIKeyKMINJFZDAPPAMF-SECBINFHSA-N
MW263.36 g/mol
LogP0.25
Rot. Bonds5

About (2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide

(2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide (PubChem CID 97308164) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is (2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
PubChem CID97308164
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name(2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC[C@@H]1CS(N)(=O)=O
InChIInChI=1S/C10H21N3O3S/c1-2-3-6-12-10(14)13-7-4-5-9(13)8-17(11,15)16/h9H,2-8H2,1H3,(H,12,14)(H2,11,15,16)/t9-/m1/s1
InChIKeyKMINJFZDAPPAMF-SECBINFHSA-N
XLogP0.25
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide (CID 97308164) is (2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide is CCCCNC(=O)N1CCC[C@@H]1CS(N)(=O)=O.
What is the InChIKey of (2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is KMINJFZDAPPAMF-SECBINFHSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-2-3-6-12-10(14)13-7-4-5-9(13)8-17(11,15)16/h9H,2-8H2,1H3,(H,12,14)(H2,11,15,16)/t9-/m1/s1.
What are the key properties of (2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
(2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97308164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).