2,2-dimethyl-N-propan-2-ylbutane-1-sulfonamide

C9H21NO2S — CID 129273603

IUPAC2,2-dimethyl-N-propan-2-ylbutane-1-sulfonamide
SMILESCCC(C)(C)CS(=O)(=O)NC(C)C
InChIInChI=1S/C9H21NO2S/c1-6-9(4,5)7-13(11,12)10-8(2)3/h8,10H,6-7H2,1-5H3
InChIKeyHKFDQVOBVYRKMB-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.75
Rot. Bonds5

About 2,2-dimethyl-N-propan-2-ylbutane-1-sulfonamide

2,2-dimethyl-N-propan-2-ylbutane-1-sulfonamide (PubChem CID 129273603) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-propan-2-ylbutane-1-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-N-propan-2-ylbutane-1-sulfonamide
PubChem CID129273603
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name2,2-dimethyl-N-propan-2-ylbutane-1-sulfonamide
SMILESCCC(C)(C)CS(=O)(=O)NC(C)C
InChIInChI=1S/C9H21NO2S/c1-6-9(4,5)7-13(11,12)10-8(2)3/h8,10H,6-7H2,1-5H3
InChIKeyHKFDQVOBVYRKMB-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propan-2-ylbutane-1-sulfonamide?
The IUPAC name of 2,2-dimethyl-N-propan-2-ylbutane-1-sulfonamide (CID 129273603) is 2,2-dimethyl-N-propan-2-ylbutane-1-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-N-propan-2-ylbutane-1-sulfonamide?
The canonical SMILES for 2,2-dimethyl-N-propan-2-ylbutane-1-sulfonamide is CCC(C)(C)CS(=O)(=O)NC(C)C.
What is the InChIKey of 2,2-dimethyl-N-propan-2-ylbutane-1-sulfonamide?
The InChIKey is HKFDQVOBVYRKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-6-9(4,5)7-13(11,12)10-8(2)3/h8,10H,6-7H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-propan-2-ylbutane-1-sulfonamide?
2,2-dimethyl-N-propan-2-ylbutane-1-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propan-2-ylbutane-1-sulfonamide is sourced from PubChem (CID 129273603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).