N-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide

C13H26N2OS — CID 90799655

IUPACN-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide
SMILESCCC(C)CCC(C)(C#N)NS(=O)CC(C)C
InChIInChI=1S/C13H26N2OS/c1-6-12(4)7-8-13(5,10-14)15-17(16)9-11(2)3/h11-12,15H,6-9H2,1-5H3
InChIKeyCTNPHDRCJZKPEB-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.00
Rot. Bonds8

About N-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide

N-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide (PubChem CID 90799655) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide.

Molecular Properties

Compound NameN-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide
PubChem CID90799655
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide
SMILESCCC(C)CCC(C)(C#N)NS(=O)CC(C)C
InChIInChI=1S/C13H26N2OS/c1-6-12(4)7-8-13(5,10-14)15-17(16)9-11(2)3/h11-12,15H,6-9H2,1-5H3
InChIKeyCTNPHDRCJZKPEB-UHFFFAOYSA-N
XLogP3.00
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-Cyano-3-methylcyclohexyl)ethanesulfonamide
CID 86799164
tert-butyl-[[(2S,5R)-2-cyano-5-methylheptan-2-yl]amino]-oxidosulfanium
CID 57935238
N-[(2S,5R)-2-cyano-5-methylheptan-2-yl]-2-methylpropane-1-sulfinamide
CID 87653070
(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide
CID 153296109
tert-butyl-[[(5R)-2-cyano-5-methylheptan-2-yl]amino]-hydroxysulfanium
CID 163466428
N-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide
CID 55259190
N-(1-cyanocycloheptyl)-3-methylbutane-1-sulfonamide
CID 55259191
N-(1-cyanocyclohexyl)propane-2-sulfonamide
CID 61122084
N-(1-cyanocycloheptyl)propane-2-sulfonamide
CID 61122497
N-(1-cyanocyclohexyl)propane-1-sulfonamide
CID 61122875
N-(1-cyanocyclohexyl)butane-1-sulfonamide
CID 61122876
N-(1-cyanocyclohexyl)ethanesulfonamide
CID 61122877

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide?
The IUPAC name of N-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide (CID 90799655) is N-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide.
What is the SMILES notation for N-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide?
The canonical SMILES for N-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide is CCC(C)CCC(C)(C#N)NS(=O)CC(C)C.
What is the InChIKey of N-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide?
The InChIKey is CTNPHDRCJZKPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-6-12(4)7-8-13(5,10-14)15-17(16)9-11(2)3/h11-12,15H,6-9H2,1-5H3.
What are the key properties of N-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide?
N-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide has a molecular weight of 258.43 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide is sourced from PubChem (CID 90799655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).