1-tert-butylimino-4-methylthiane 1-oxide

C10H21NOS — CID 170386540

IUPAC1-tert-butylimino-4-methylthiane 1-oxide
SMILESCC1CCS(=O)(=NC(C)(C)C)CC1
InChIInChI=1S/C10H21NOS/c1-9-5-7-13(12,8-6-9)11-10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyYYMPQYAPDZVCKP-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.68
Rot. Bonds

About 1-tert-butylimino-4-methylthiane 1-oxide

1-tert-butylimino-4-methylthiane 1-oxide (PubChem CID 170386540) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 1-tert-butylimino-4-methylthiane 1-oxide.

Molecular Properties

Compound Name1-tert-butylimino-4-methylthiane 1-oxide
PubChem CID170386540
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name1-tert-butylimino-4-methylthiane 1-oxide
SMILESCC1CCS(=O)(=NC(C)(C)C)CC1
InChIInChI=1S/C10H21NOS/c1-9-5-7-13(12,8-6-9)11-10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyYYMPQYAPDZVCKP-UHFFFAOYSA-N
XLogP2.68
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyloxathiepane 2,2-dioxide
CID 89251453
N'-tert-butyl-1,1-dioxothiolane-3-carboximidamide
CID 115337478
3-methyl-6λ4-thiaspiro[5.6]dodecane
CID 70985048
2,2-dimethylpropane;methane;methylcyclopropane
CID 161488522
1-methylimino-4-propan-2-ylthiane 1-oxide
CID 164831352
1-methoxy-1,4-dimethylthiane
CID 163420819
1-hydrazinylidene-1-oxo-4-propan-2-ylthiane
CID 138494031
bis(1,4-dimethylcyclohexane);methane
CID 161326462
1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
1-tert-butylimino-1-methyliminothiolane
CID 171606924
1-(1-methylimino-1-oxothian-4-yl)ethanone
CID 134433982
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylimino-4-methylthiane 1-oxide?
The IUPAC name of 1-tert-butylimino-4-methylthiane 1-oxide (CID 170386540) is 1-tert-butylimino-4-methylthiane 1-oxide.
What is the SMILES notation for 1-tert-butylimino-4-methylthiane 1-oxide?
The canonical SMILES for 1-tert-butylimino-4-methylthiane 1-oxide is CC1CCS(=O)(=NC(C)(C)C)CC1.
What is the InChIKey of 1-tert-butylimino-4-methylthiane 1-oxide?
The InChIKey is YYMPQYAPDZVCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9-5-7-13(12,8-6-9)11-10(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 1-tert-butylimino-4-methylthiane 1-oxide?
1-tert-butylimino-4-methylthiane 1-oxide has a molecular weight of 203.35 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylimino-4-methylthiane 1-oxide is sourced from PubChem (CID 170386540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).