1-methylimino-4-propan-2-ylthiane 1-oxide

C9H19NOS — CID 164831352

IUPAC1-methylimino-4-propan-2-ylthiane 1-oxide
SMILESCN=S1(=O)CCC(C(C)C)CC1
InChIInChI=1S/C9H19NOS/c1-8(2)9-4-6-12(11,10-3)7-5-9/h8-9H,4-7H2,1-3H3
InChIKeyREHMMFSBUIXZJY-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.15
Rot. Bonds1

About 1-methylimino-4-propan-2-ylthiane 1-oxide

1-methylimino-4-propan-2-ylthiane 1-oxide (PubChem CID 164831352) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-methylimino-4-propan-2-ylthiane 1-oxide.

Molecular Properties

Compound Name1-methylimino-4-propan-2-ylthiane 1-oxide
PubChem CID164831352
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name1-methylimino-4-propan-2-ylthiane 1-oxide
SMILESCN=S1(=O)CCC(C(C)C)CC1
InChIInChI=1S/C9H19NOS/c1-8(2)9-4-6-12(11,10-3)7-5-9/h8-9H,4-7H2,1-3H3
InChIKeyREHMMFSBUIXZJY-UHFFFAOYSA-N
XLogP2.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydrazinylidene-1-oxo-4-propan-2-ylthiane
CID 138494031
(4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide
CID 146588168
propan-2-ylcyclopropane;hydroiodide
CID 162314014
7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide
CID 137390183
4-butan-2-ylthiane 1,1-dioxide
CID 123360092
N'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide
CID 65401999
1-methylimino-4-propan-2-ylthiane
CID 167079559
(1,1-dioxothian-4-yl)-fluoromethanamine
CID 105439422
ethane;1-(4-propan-2-ylcyclohexyl)ethanone
CID 144871245
4-(1-nitroethyl)thiane 1,1-dioxide
CID 105460330
2-(1,1-dioxothiolan-3-yl)propanoic acid
CID 57370502
O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine
CID 117104622

Frequently Asked Questions

What is the IUPAC name of 1-methylimino-4-propan-2-ylthiane 1-oxide?
The IUPAC name of 1-methylimino-4-propan-2-ylthiane 1-oxide (CID 164831352) is 1-methylimino-4-propan-2-ylthiane 1-oxide.
What is the SMILES notation for 1-methylimino-4-propan-2-ylthiane 1-oxide?
The canonical SMILES for 1-methylimino-4-propan-2-ylthiane 1-oxide is CN=S1(=O)CCC(C(C)C)CC1.
What is the InChIKey of 1-methylimino-4-propan-2-ylthiane 1-oxide?
The InChIKey is REHMMFSBUIXZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8(2)9-4-6-12(11,10-3)7-5-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-methylimino-4-propan-2-ylthiane 1-oxide?
1-methylimino-4-propan-2-ylthiane 1-oxide has a molecular weight of 189.32 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimino-4-propan-2-ylthiane 1-oxide is sourced from PubChem (CID 164831352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).