N-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide

C13H27NOS — CID 102107436

IUPACN-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide
SMILESC=CCC(C)(CC(C)C)NS(=O)C(C)(C)C
InChIInChI=1S/C13H27NOS/c1-8-9-13(7,10-11(2)3)14-16(15)12(4,5)6/h8,11,14H,1,9-10H2,2-7H3
InChIKeyNACALVBGXUEQGX-UHFFFAOYSA-N
MW245.43 g/mol
LogP3.42
Rot. Bonds6

About N-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide

N-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide (PubChem CID 102107436) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is N-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide
PubChem CID102107436
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC NameN-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide
SMILESC=CCC(C)(CC(C)C)NS(=O)C(C)(C)C
InChIInChI=1S/C13H27NOS/c1-8-9-13(7,10-11(2)3)14-16(15)12(4,5)6/h8,11,14H,1,9-10H2,2-7H3
InChIKeyNACALVBGXUEQGX-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide (CID 102107436) is N-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide is C=CCC(C)(CC(C)C)NS(=O)C(C)(C)C.
What is the InChIKey of N-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide?
The InChIKey is NACALVBGXUEQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-8-9-13(7,10-11(2)3)14-16(15)12(4,5)6/h8,11,14H,1,9-10H2,2-7H3.
What are the key properties of N-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide?
N-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide has a molecular weight of 245.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylhept-1-en-4-yl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 102107436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).