2-cyclopentylethyl(propyl)sulfamic acid

C10H21NO3S — CID 174618408

IUPAC2-cyclopentylethyl(propyl)sulfamic acid
SMILESCCCN(CCC1CCCC1)S(=O)(=O)O
InChIInChI=1S/C10H21NO3S/c1-2-8-11(15(12,13)14)9-7-10-5-3-4-6-10/h10H,2-9H2,1H3,(H,12,13,14)
InChIKeyTYFPXABGQRQPLO-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.08
Rot. Bonds6

About 2-cyclopentylethyl(propyl)sulfamic acid

2-cyclopentylethyl(propyl)sulfamic acid (PubChem CID 174618408) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-cyclopentylethyl(propyl)sulfamic acid.

Molecular Properties

Compound Name2-cyclopentylethyl(propyl)sulfamic acid
PubChem CID174618408
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-cyclopentylethyl(propyl)sulfamic acid
SMILESCCCN(CCC1CCCC1)S(=O)(=O)O
InChIInChI=1S/C10H21NO3S/c1-2-8-11(15(12,13)14)9-7-10-5-3-4-6-10/h10H,2-9H2,1H3,(H,12,13,14)
InChIKeyTYFPXABGQRQPLO-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylethyl(propyl)sulfamic acid?
The IUPAC name of 2-cyclopentylethyl(propyl)sulfamic acid (CID 174618408) is 2-cyclopentylethyl(propyl)sulfamic acid.
What is the SMILES notation for 2-cyclopentylethyl(propyl)sulfamic acid?
The canonical SMILES for 2-cyclopentylethyl(propyl)sulfamic acid is CCCN(CCC1CCCC1)S(=O)(=O)O.
What is the InChIKey of 2-cyclopentylethyl(propyl)sulfamic acid?
The InChIKey is TYFPXABGQRQPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-2-8-11(15(12,13)14)9-7-10-5-3-4-6-10/h10H,2-9H2,1H3,(H,12,13,14).
What are the key properties of 2-cyclopentylethyl(propyl)sulfamic acid?
2-cyclopentylethyl(propyl)sulfamic acid has a molecular weight of 235.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylethyl(propyl)sulfamic acid is sourced from PubChem (CID 174618408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).