2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine

C8H17NS — CID 153390257

IUPAC2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine
SMILESCSC(C)(C)/C=N/C(C)C
InChIInChI=1S/C8H17NS/c1-7(2)9-6-8(3,4)10-5/h6-7H,1-5H3/b9-6+
InChIKeyMLEITMDMELXTHG-RMKNXTFCSA-N
MW159.30 g/mol
LogP2.61
Rot. Bonds3

About 2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine

2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine (PubChem CID 153390257) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine.

Molecular Properties

Compound Name2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine
PubChem CID153390257
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine
SMILESCSC(C)(C)/C=N/C(C)C
InChIInChI=1S/C8H17NS/c1-7(2)9-6-8(3,4)10-5/h6-7H,1-5H3/b9-6+
InChIKeyMLEITMDMELXTHG-RMKNXTFCSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-methyl-2-propylsulfanylpropan-1-imine
CID 13108543
N-tert-butyl-2-methyl-2-propan-2-ylsulfanylpropan-1-imine
CID 13108544
2-methyl-N-propan-2-yl-2-propylsulfanylbutan-1-imine
CID 13108548
2-methyl-N-propan-2-yl-2-propan-2-ylsulfanylpropan-1-imine
CID 13108550
(Z)-N-[[tert-butyl(methylidene)-lambda4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine
CID 58200065
N-[[tert-butyl(methylidene)-lambda4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine
CID 76700812
2,2,5-trimethyl-6,7-dihydro-5H-1,4-thiazepine
CID 123866591
ethane;2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine
CID 153390256
N,2-dimethyl-2-methylsulfanylpropan-1-imine
CID 164122988
tert-butyl N-propan-2-ylmethanimidothioate
CID 169040401

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine?
The IUPAC name of 2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine (CID 153390257) is 2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine.
What is the SMILES notation for 2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine?
The canonical SMILES for 2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine is CSC(C)(C)/C=N/C(C)C.
What is the InChIKey of 2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine?
The InChIKey is MLEITMDMELXTHG-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)9-6-8(3,4)10-5/h6-7H,1-5H3/b9-6+.
What are the key properties of 2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine?
2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine has a molecular weight of 159.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine is sourced from PubChem (CID 153390257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).