N-(3-cyano-3-methylbutan-2-yl)-2-methylpropane-2-sulfinamide

C10H20N2OS — CID 86659434

IUPACN-(3-cyano-3-methylbutan-2-yl)-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)C(C)(C)C#N
InChIInChI=1S/C10H20N2OS/c1-8(10(5,6)7-11)12-14(13)9(2,3)4/h8,12H,1-6H3
InChIKeyZWKDIEQDLXKKRW-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.98
Rot. Bonds3

About N-(3-cyano-3-methylbutan-2-yl)-2-methylpropane-2-sulfinamide

N-(3-cyano-3-methylbutan-2-yl)-2-methylpropane-2-sulfinamide (PubChem CID 86659434) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(3-cyano-3-methylbutan-2-yl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(3-cyano-3-methylbutan-2-yl)-2-methylpropane-2-sulfinamide
PubChem CID86659434
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(3-cyano-3-methylbutan-2-yl)-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)C(C)(C)C#N
InChIInChI=1S/C10H20N2OS/c1-8(10(5,6)7-11)12-14(13)9(2,3)4/h8,12H,1-6H3
InChIKeyZWKDIEQDLXKKRW-UHFFFAOYSA-N
XLogP1.98
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-3-methylbutan-2-yl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(3-cyano-3-methylbutan-2-yl)-2-methylpropane-2-sulfinamide (CID 86659434) is N-(3-cyano-3-methylbutan-2-yl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(3-cyano-3-methylbutan-2-yl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(3-cyano-3-methylbutan-2-yl)-2-methylpropane-2-sulfinamide is CC(NS(=O)C(C)(C)C)C(C)(C)C#N.
What is the InChIKey of N-(3-cyano-3-methylbutan-2-yl)-2-methylpropane-2-sulfinamide?
The InChIKey is ZWKDIEQDLXKKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(10(5,6)7-11)12-14(13)9(2,3)4/h8,12H,1-6H3.
What are the key properties of N-(3-cyano-3-methylbutan-2-yl)-2-methylpropane-2-sulfinamide?
N-(3-cyano-3-methylbutan-2-yl)-2-methylpropane-2-sulfinamide has a molecular weight of 216.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-3-methylbutan-2-yl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 86659434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).