4-amino-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide

C9H22N2O3S — CID 61456915

IUPAC4-amino-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)CCCCN
InChIInChI=1S/C9H22N2O3S/c1-2-6-11(7-8-12)15(13,14)9-4-3-5-10/h12H,2-10H2,1H3
InChIKeyYODVTGKNXRIMBY-UHFFFAOYSA-N
MW238.35 g/mol
LogP-0.24
Rot. Bonds9

About 4-amino-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide

4-amino-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide (PubChem CID 61456915) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
PubChem CID61456915
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name4-amino-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)CCCCN
InChIInChI=1S/C9H22N2O3S/c1-2-6-11(7-8-12)15(13,14)9-4-3-5-10/h12H,2-10H2,1H3
InChIKeyYODVTGKNXRIMBY-UHFFFAOYSA-N
XLogP-0.24
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide (CID 61456915) is 4-amino-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide is CCCN(CCO)S(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide?
The InChIKey is YODVTGKNXRIMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-2-6-11(7-8-12)15(13,14)9-4-3-5-10/h12H,2-10H2,1H3.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide?
4-amino-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide has a molecular weight of 238.35 g/mol, XLogP of -0.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide is sourced from PubChem (CID 61456915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).