4,4-dimethyl-N-propan-2-ylpentane-1-sulfonamide

C10H23NO2S — CID 146353300

IUPAC4,4-dimethyl-N-propan-2-ylpentane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CCCC(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-9(2)11-14(12,13)8-6-7-10(3,4)5/h9,11H,6-8H2,1-5H3
InChIKeyGHBKVIJTANLBEP-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.14
Rot. Bonds5

About 4,4-dimethyl-N-propan-2-ylpentane-1-sulfonamide

4,4-dimethyl-N-propan-2-ylpentane-1-sulfonamide (PubChem CID 146353300) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 4,4-dimethyl-N-propan-2-ylpentane-1-sulfonamide.

Molecular Properties

Compound Name4,4-dimethyl-N-propan-2-ylpentane-1-sulfonamide
PubChem CID146353300
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name4,4-dimethyl-N-propan-2-ylpentane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CCCC(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-9(2)11-14(12,13)8-6-7-10(3,4)5/h9,11H,6-8H2,1-5H3
InChIKeyGHBKVIJTANLBEP-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-propan-2-ylpentane-1-sulfonamide?
The IUPAC name of 4,4-dimethyl-N-propan-2-ylpentane-1-sulfonamide (CID 146353300) is 4,4-dimethyl-N-propan-2-ylpentane-1-sulfonamide.
What is the SMILES notation for 4,4-dimethyl-N-propan-2-ylpentane-1-sulfonamide?
The canonical SMILES for 4,4-dimethyl-N-propan-2-ylpentane-1-sulfonamide is CC(C)NS(=O)(=O)CCCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-N-propan-2-ylpentane-1-sulfonamide?
The InChIKey is GHBKVIJTANLBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-9(2)11-14(12,13)8-6-7-10(3,4)5/h9,11H,6-8H2,1-5H3.
What are the key properties of 4,4-dimethyl-N-propan-2-ylpentane-1-sulfonamide?
4,4-dimethyl-N-propan-2-ylpentane-1-sulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-propan-2-ylpentane-1-sulfonamide is sourced from PubChem (CID 146353300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).