N-(3-aminopropyl)-N-cyclopentylethanesulfonamide

C10H22N2O2S — CID 43137011

IUPACN-(3-aminopropyl)-N-cyclopentylethanesulfonamide
SMILESCCS(=O)(=O)N(CCCN)C1CCCC1
InChIInChI=1S/C10H22N2O2S/c1-2-15(13,14)12(9-5-8-11)10-6-3-4-7-10/h10H,2-9,11H2,1H3
InChIKeyPIIVXVAJZGMQNI-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.93
Rot. Bonds6

About N-(3-aminopropyl)-N-cyclopentylethanesulfonamide

N-(3-aminopropyl)-N-cyclopentylethanesulfonamide (PubChem CID 43137011) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopentylethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopentylethanesulfonamide
PubChem CID43137011
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(3-aminopropyl)-N-cyclopentylethanesulfonamide
SMILESCCS(=O)(=O)N(CCCN)C1CCCC1
InChIInChI=1S/C10H22N2O2S/c1-2-15(13,14)12(9-5-8-11)10-6-3-4-7-10/h10H,2-9,11H2,1H3
InChIKeyPIIVXVAJZGMQNI-UHFFFAOYSA-N
XLogP0.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopentylethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopentylethanesulfonamide (CID 43137011) is N-(3-aminopropyl)-N-cyclopentylethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopentylethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopentylethanesulfonamide is CCS(=O)(=O)N(CCCN)C1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopentylethanesulfonamide?
The InChIKey is PIIVXVAJZGMQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-2-15(13,14)12(9-5-8-11)10-6-3-4-7-10/h10H,2-9,11H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cyclopentylethanesulfonamide?
N-(3-aminopropyl)-N-cyclopentylethanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopentylethanesulfonamide is sourced from PubChem (CID 43137011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).