N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide

C8H19N3O2S — CID 62667987

IUPACN-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide
SMILESCC(CN)CNS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H19N3O2S/c1-8(6-9)7-10-14(12,13)11-4-2-3-5-11/h8,10H,2-7,9H2,1H3
InChIKeyQMMBEIAOYOPCFY-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.49
Rot. Bonds5

About N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide

N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide (PubChem CID 62667987) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide
PubChem CID62667987
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC NameN-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide
SMILESCC(CN)CNS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H19N3O2S/c1-8(6-9)7-10-14(12,13)11-4-2-3-5-11/h8,10H,2-7,9H2,1H3
InChIKeyQMMBEIAOYOPCFY-UHFFFAOYSA-N
XLogP-0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide (CID 62667987) is N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide is CC(CN)CNS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide?
The InChIKey is QMMBEIAOYOPCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-8(6-9)7-10-14(12,13)11-4-2-3-5-11/h8,10H,2-7,9H2,1H3.
What are the key properties of N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide?
N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 62667987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).