N-butan-2-yl-2-methylpropane-2-sulfinamide

C8H19NOS — CID 123669908

IUPACN-butan-2-yl-2-methylpropane-2-sulfinamide
SMILESCCC(C)NS(=O)C(C)(C)C
InChIInChI=1S/C8H19NOS/c1-6-7(2)9-11(10)8(3,4)5/h7,9H,6H2,1-5H3
InChIKeyADSRPTINFIXAEQ-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.84
Rot. Bonds3

About N-butan-2-yl-2-methylpropane-2-sulfinamide

N-butan-2-yl-2-methylpropane-2-sulfinamide (PubChem CID 123669908) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is N-butan-2-yl-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methylpropane-2-sulfinamide
PubChem CID123669908
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC NameN-butan-2-yl-2-methylpropane-2-sulfinamide
SMILESCCC(C)NS(=O)C(C)(C)C
InChIInChI=1S/C8H19NOS/c1-6-7(2)9-11(10)8(3,4)5/h7,9H,6H2,1-5H3
InChIKeyADSRPTINFIXAEQ-UHFFFAOYSA-N
XLogP1.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methylpropane-2-sulfinamide?
The IUPAC name of N-butan-2-yl-2-methylpropane-2-sulfinamide (CID 123669908) is N-butan-2-yl-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-butan-2-yl-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-butan-2-yl-2-methylpropane-2-sulfinamide is CCC(C)NS(=O)C(C)(C)C.
What is the InChIKey of N-butan-2-yl-2-methylpropane-2-sulfinamide?
The InChIKey is ADSRPTINFIXAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-6-7(2)9-11(10)8(3,4)5/h7,9H,6H2,1-5H3.
What are the key properties of N-butan-2-yl-2-methylpropane-2-sulfinamide?
N-butan-2-yl-2-methylpropane-2-sulfinamide has a molecular weight of 177.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 123669908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).