(S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide

C10H20ClNOS — CID 124645955

IUPAC(S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N=CCCCCCCl
InChIInChI=1S/C10H20ClNOS/c1-10(2,3)14(13)12-9-7-5-4-6-8-11/h9H,4-8H2,1-3H3/t14-/m0/s1
InChIKeyNYIXFRFSQDIKHD-AWEZNQCLSA-N
MW237.80 g/mol
LogP3.32
Rot. Bonds6

About (S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide

(S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide (PubChem CID 124645955) has the molecular formula C10H20ClNOS and a molecular weight of 237.80 g/mol. Its IUPAC name is (S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide
PubChem CID124645955
Molecular FormulaC10H20ClNOS
Molecular Weight237.80 g/mol
Exact Mass237.10
IUPAC Name(S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N=CCCCCCCl
InChIInChI=1S/C10H20ClNOS/c1-10(2,3)14(13)12-9-7-5-4-6-8-11/h9H,4-8H2,1-3H3/t14-/m0/s1
InChIKeyNYIXFRFSQDIKHD-AWEZNQCLSA-N
XLogP3.32
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.80
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE,R)-N-(4-chlorobutylidene)-2-methylpropane-2-sulfinamide
CID 57333504
(NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide
CID 11265085
(NE,S)-N-decylidene-2-methylpropane-2-sulfinamide
CID 57331784
6-tert-butylsulfinyliminohexanoic acid
CID 141328773
N-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide
CID 67268344
(NZ,R)-2-methyl-N-propylidenepropane-2-sulfinamide
CID 129286833
(NE,R)-2-methyl-N-[6-(4-methylphenyl)-6-oxohexylidene]propane-2-sulfinamide
CID 135072030
(NE)-2-methyl-N-(6-oxo-6-phenylhexylidene)propane-2-sulfinamide
CID 177384811
(NE,R)-N-[6-(4-bromophenyl)-6-oxohexylidene]-2-methylpropane-2-sulfinamide
CID 135072596
(NE,R)-N-[3-(1,3-dioxan-2-yl)propylidene]-2-methylpropane-2-sulfinamide
CID 121006550
(NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide
CID 11413565
alumane;1,8-dichlorooctane
CID 173313045

Frequently Asked Questions

What is the IUPAC name of (S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide (CID 124645955) is (S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N=CCCCCCCl.
What is the InChIKey of (S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is NYIXFRFSQDIKHD-AWEZNQCLSA-N. The full InChI is InChI=1S/C10H20ClNOS/c1-10(2,3)14(13)12-9-7-5-4-6-8-11/h9H,4-8H2,1-3H3/t14-/m0/s1.
What are the key properties of (S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide?
(S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 237.80 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 124645955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).