N-(pyrrolidin-3-ylmethyl)prop-2-ene-1-sulfonamide

C8H16N2O2S — CID 80563573

IUPACN-(pyrrolidin-3-ylmethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCC1CCNC1
InChIInChI=1S/C8H16N2O2S/c1-2-5-13(11,12)10-7-8-3-4-9-6-8/h2,8-10H,1,3-7H2
InChIKeyRORRFQWUOSOCHY-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.30
Rot. Bonds5

About N-(pyrrolidin-3-ylmethyl)prop-2-ene-1-sulfonamide

N-(pyrrolidin-3-ylmethyl)prop-2-ene-1-sulfonamide (PubChem CID 80563573) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)prop-2-ene-1-sulfonamide
PubChem CID80563573
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(pyrrolidin-3-ylmethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCC1CCNC1
InChIInChI=1S/C8H16N2O2S/c1-2-5-13(11,12)10-7-8-3-4-9-6-8/h2,8-10H,1,3-7H2
InChIKeyRORRFQWUOSOCHY-UHFFFAOYSA-N
XLogP-0.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)prop-2-ene-1-sulfonamide (CID 80563573) is N-(pyrrolidin-3-ylmethyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NCC1CCNC1.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)prop-2-ene-1-sulfonamide?
The InChIKey is RORRFQWUOSOCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-2-5-13(11,12)10-7-8-3-4-9-6-8/h2,8-10H,1,3-7H2.
What are the key properties of N-(pyrrolidin-3-ylmethyl)prop-2-ene-1-sulfonamide?
N-(pyrrolidin-3-ylmethyl)prop-2-ene-1-sulfonamide has a molecular weight of 204.29 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 80563573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).