3,3-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)butane-1-sulfonamide

C14H31NO2S — CID 103521057

IUPAC3,3-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)butane-1-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)CCC(C)(C)C)C(C)C
InChIInChI=1S/C14H31NO2S/c1-11(2)13(12(3)4)10-15-18(16,17)9-8-14(5,6)7/h11-13,15H,8-10H2,1-7H3
InChIKeyFQQUWRUKOFRTOT-UHFFFAOYSA-N
MW277.47 g/mol
LogP3.27
Rot. Bonds7

About 3,3-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)butane-1-sulfonamide

3,3-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)butane-1-sulfonamide (PubChem CID 103521057) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)butane-1-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)butane-1-sulfonamide
PubChem CID103521057
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC Name3,3-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)butane-1-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)CCC(C)(C)C)C(C)C
InChIInChI=1S/C14H31NO2S/c1-11(2)13(12(3)4)10-15-18(16,17)9-8-14(5,6)7/h11-13,15H,8-10H2,1-7H3
InChIKeyFQQUWRUKOFRTOT-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)butane-1-sulfonamide?
The IUPAC name of 3,3-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)butane-1-sulfonamide (CID 103521057) is 3,3-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)butane-1-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)butane-1-sulfonamide?
The canonical SMILES for 3,3-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)butane-1-sulfonamide is CC(C)C(CNS(=O)(=O)CCC(C)(C)C)C(C)C.
What is the InChIKey of 3,3-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)butane-1-sulfonamide?
The InChIKey is FQQUWRUKOFRTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-11(2)13(12(3)4)10-15-18(16,17)9-8-14(5,6)7/h11-13,15H,8-10H2,1-7H3.
What are the key properties of 3,3-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)butane-1-sulfonamide?
3,3-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)butane-1-sulfonamide has a molecular weight of 277.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)butane-1-sulfonamide is sourced from PubChem (CID 103521057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).