N-pyrrolidin-3-ylpropane-1-sulfonamide

C7H16N2O2S — CID 43602878

IUPACN-pyrrolidin-3-ylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCNC1
InChIInChI=1S/C7H16N2O2S/c1-2-5-12(10,11)9-7-3-4-8-6-7/h7-9H,2-6H2,1H3
InChIKeyZWKQUCJFDUBTGP-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.32
Rot. Bonds4

About N-pyrrolidin-3-ylpropane-1-sulfonamide

N-pyrrolidin-3-ylpropane-1-sulfonamide (PubChem CID 43602878) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N-pyrrolidin-3-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-pyrrolidin-3-ylpropane-1-sulfonamide
PubChem CID43602878
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN-pyrrolidin-3-ylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCNC1
InChIInChI=1S/C7H16N2O2S/c1-2-5-12(10,11)9-7-3-4-8-6-7/h7-9H,2-6H2,1H3
InChIKeyZWKQUCJFDUBTGP-UHFFFAOYSA-N
XLogP-0.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylpropane-1-sulfonamide?
The IUPAC name of N-pyrrolidin-3-ylpropane-1-sulfonamide (CID 43602878) is N-pyrrolidin-3-ylpropane-1-sulfonamide.
What is the SMILES notation for N-pyrrolidin-3-ylpropane-1-sulfonamide?
The canonical SMILES for N-pyrrolidin-3-ylpropane-1-sulfonamide is CCCS(=O)(=O)NC1CCNC1.
What is the InChIKey of N-pyrrolidin-3-ylpropane-1-sulfonamide?
The InChIKey is ZWKQUCJFDUBTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-2-5-12(10,11)9-7-3-4-8-6-7/h7-9H,2-6H2,1H3.
What are the key properties of N-pyrrolidin-3-ylpropane-1-sulfonamide?
N-pyrrolidin-3-ylpropane-1-sulfonamide has a molecular weight of 192.28 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylpropane-1-sulfonamide is sourced from PubChem (CID 43602878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).