N-heptyl-N-(3-hydroxypropyl)methanesulfonamide

C11H25NO3S — CID 64585355

IUPACN-heptyl-N-(3-hydroxypropyl)methanesulfonamide
SMILESCCCCCCCN(CCCO)S(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-3-4-5-6-7-9-12(10-8-11-13)16(2,14)15/h13H,3-11H2,1-2H3
InChIKeyIKLHUSVJZRWZCF-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.60
Rot. Bonds10

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

N-heptyl-N-(3-hydroxypropyl)methanesulfonamide (PubChem CID 64585355) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-heptyl-N-(3-hydroxypropyl)methanesulfonamide.

Molecular Properties

Compound NameN-heptyl-N-(3-hydroxypropyl)methanesulfonamide
PubChem CID64585355
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-heptyl-N-(3-hydroxypropyl)methanesulfonamide
SMILESCCCCCCCN(CCCO)S(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-3-4-5-6-7-9-12(10-8-11-13)16(2,14)15/h13H,3-11H2,1-2H3
InChIKeyIKLHUSVJZRWZCF-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.60
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)methanesulfonamide?
The IUPAC name of N-heptyl-N-(3-hydroxypropyl)methanesulfonamide (CID 64585355) is N-heptyl-N-(3-hydroxypropyl)methanesulfonamide.
What is the SMILES notation for N-heptyl-N-(3-hydroxypropyl)methanesulfonamide?
The canonical SMILES for N-heptyl-N-(3-hydroxypropyl)methanesulfonamide is CCCCCCCN(CCCO)S(C)(=O)=O.
What is the InChIKey of N-heptyl-N-(3-hydroxypropyl)methanesulfonamide?
The InChIKey is IKLHUSVJZRWZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-3-4-5-6-7-9-12(10-8-11-13)16(2,14)15/h13H,3-11H2,1-2H3.
What are the key properties of N-heptyl-N-(3-hydroxypropyl)methanesulfonamide?
N-heptyl-N-(3-hydroxypropyl)methanesulfonamide has a molecular weight of 251.39 g/mol, XLogP of 1.60, 10 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)methanesulfonamide is sourced from PubChem (CID 64585355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).