2-propylheptane-1-sulfonamide

C10H23NO2S — CID 87086991

IUPAC2-propylheptane-1-sulfonamide
SMILESCCCCCC(CCC)CS(N)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-3-5-6-8-10(7-4-2)9-14(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13)
InChIKeyPBFHIFCYAHKCTN-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.27
Rot. Bonds8

About 2-propylheptane-1-sulfonamide

2-propylheptane-1-sulfonamide (PubChem CID 87086991) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-propylheptane-1-sulfonamide.

Molecular Properties

Compound Name2-propylheptane-1-sulfonamide
PubChem CID87086991
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name2-propylheptane-1-sulfonamide
SMILESCCCCCC(CCC)CS(N)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-3-5-6-8-10(7-4-2)9-14(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13)
InChIKeyPBFHIFCYAHKCTN-UHFFFAOYSA-N
XLogP2.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
6-propyltetracosane
CID 91039357
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
2-propylheptan-1-amine
CID 21267775
2-decyldodecane-1-sulfonic acid
CID 152683852
5-propylpentacosane
CID 91493421
hexane;sulfamide
CID 87750585
7,9-dipropylhexadecane
CID 91047634

Frequently Asked Questions

What is the IUPAC name of 2-propylheptane-1-sulfonamide?
The IUPAC name of 2-propylheptane-1-sulfonamide (CID 87086991) is 2-propylheptane-1-sulfonamide.
What is the SMILES notation for 2-propylheptane-1-sulfonamide?
The canonical SMILES for 2-propylheptane-1-sulfonamide is CCCCCC(CCC)CS(N)(=O)=O.
What is the InChIKey of 2-propylheptane-1-sulfonamide?
The InChIKey is PBFHIFCYAHKCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-3-5-6-8-10(7-4-2)9-14(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-propylheptane-1-sulfonamide?
2-propylheptane-1-sulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylheptane-1-sulfonamide is sourced from PubChem (CID 87086991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).