N-(2-aminoethyl)-3-chloropropane-1-sulfonamide

C5H13ClN2O2S — CID 61248217

IUPACN-(2-aminoethyl)-3-chloropropane-1-sulfonamide
SMILESNCCNS(=O)(=O)CCCCl
InChIInChI=1S/C5H13ClN2O2S/c6-2-1-5-11(9,10)8-4-3-7/h8H,1-5,7H2
InChIKeyZSEMFLXZZDPRJA-UHFFFAOYSA-N
MW200.69 g/mol
LogP-0.51
Rot. Bonds6

About N-(2-aminoethyl)-3-chloropropane-1-sulfonamide

N-(2-aminoethyl)-3-chloropropane-1-sulfonamide (PubChem CID 61248217) has the molecular formula C5H13ClN2O2S and a molecular weight of 200.69 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-chloropropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-chloropropane-1-sulfonamide
PubChem CID61248217
Molecular FormulaC5H13ClN2O2S
Molecular Weight200.69 g/mol
Exact Mass200.04
IUPAC NameN-(2-aminoethyl)-3-chloropropane-1-sulfonamide
SMILESNCCNS(=O)(=O)CCCCl
InChIInChI=1S/C5H13ClN2O2S/c6-2-1-5-11(9,10)8-4-3-7/h8H,1-5,7H2
InChIKeyZSEMFLXZZDPRJA-UHFFFAOYSA-N
XLogP-0.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-chloropropane-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-3-chloropropane-1-sulfonamide (CID 61248217) is N-(2-aminoethyl)-3-chloropropane-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-3-chloropropane-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-3-chloropropane-1-sulfonamide is NCCNS(=O)(=O)CCCCl.
What is the InChIKey of N-(2-aminoethyl)-3-chloropropane-1-sulfonamide?
The InChIKey is ZSEMFLXZZDPRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13ClN2O2S/c6-2-1-5-11(9,10)8-4-3-7/h8H,1-5,7H2.
What are the key properties of N-(2-aminoethyl)-3-chloropropane-1-sulfonamide?
N-(2-aminoethyl)-3-chloropropane-1-sulfonamide has a molecular weight of 200.69 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-chloropropane-1-sulfonamide is sourced from PubChem (CID 61248217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).