N-heptyl-N-(3-hydroxypropyl)ethanesulfonamide

C12H27NO3S — CID 64585354

IUPACN-heptyl-N-(3-hydroxypropyl)ethanesulfonamide
SMILESCCCCCCCN(CCCO)S(=O)(=O)CC
InChIInChI=1S/C12H27NO3S/c1-3-5-6-7-8-10-13(11-9-12-14)17(15,16)4-2/h14H,3-12H2,1-2H3
InChIKeyHWEAXLZPYGJMCV-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.99
Rot. Bonds11

About N-heptyl-N-(3-hydroxypropyl)ethanesulfonamide

N-heptyl-N-(3-hydroxypropyl)ethanesulfonamide (PubChem CID 64585354) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is N-heptyl-N-(3-hydroxypropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-heptyl-N-(3-hydroxypropyl)ethanesulfonamide
PubChem CID64585354
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC NameN-heptyl-N-(3-hydroxypropyl)ethanesulfonamide
SMILESCCCCCCCN(CCCO)S(=O)(=O)CC
InChIInChI=1S/C12H27NO3S/c1-3-5-6-7-8-10-13(11-9-12-14)17(15,16)4-2/h14H,3-12H2,1-2H3
InChIKeyHWEAXLZPYGJMCV-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-heptyl-N-(3-hydroxypropyl)ethanesulfonamide?
The IUPAC name of N-heptyl-N-(3-hydroxypropyl)ethanesulfonamide (CID 64585354) is N-heptyl-N-(3-hydroxypropyl)ethanesulfonamide.
What is the SMILES notation for N-heptyl-N-(3-hydroxypropyl)ethanesulfonamide?
The canonical SMILES for N-heptyl-N-(3-hydroxypropyl)ethanesulfonamide is CCCCCCCN(CCCO)S(=O)(=O)CC.
What is the InChIKey of N-heptyl-N-(3-hydroxypropyl)ethanesulfonamide?
The InChIKey is HWEAXLZPYGJMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-3-5-6-7-8-10-13(11-9-12-14)17(15,16)4-2/h14H,3-12H2,1-2H3.
What are the key properties of N-heptyl-N-(3-hydroxypropyl)ethanesulfonamide?
N-heptyl-N-(3-hydroxypropyl)ethanesulfonamide has a molecular weight of 265.42 g/mol, XLogP of 1.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N-(3-hydroxypropyl)ethanesulfonamide is sourced from PubChem (CID 64585354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).