4-methyl-4-(nitrosomethyl)thiane

C7H13NOS — CID 143603804

IUPAC4-methyl-4-(nitrosomethyl)thiane
SMILESCC1(CN=O)CCSCC1
InChIInChI=1S/C7H13NOS/c1-7(6-8-9)2-4-10-5-3-7/h2-6H2,1H3
InChIKeyVNUWHABFUAPCER-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.29
Rot. Bonds2

About 4-methyl-4-(nitrosomethyl)thiane

4-methyl-4-(nitrosomethyl)thiane (PubChem CID 143603804) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 4-methyl-4-(nitrosomethyl)thiane.

Molecular Properties

Compound Name4-methyl-4-(nitrosomethyl)thiane
PubChem CID143603804
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name4-methyl-4-(nitrosomethyl)thiane
SMILESCC1(CN=O)CCSCC1
InChIInChI=1S/C7H13NOS/c1-7(6-8-9)2-4-10-5-3-7/h2-6H2,1H3
InChIKeyVNUWHABFUAPCER-UHFFFAOYSA-N
XLogP2.29
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-4-(nitrosomethyl)thiane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-1-(nitrosomethyl)cyclopentane
CID 88905050
4-ethyl-4-methylthiane
CID 59452376
4-methylthiane-4-thiol
CID 170105339
1-(4-methylthian-4-yl)ethanone
CID 115012413
N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide
CID 75512573
4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]thiane
CID 176604323
2-[(4-methyloxan-4-yl)methylimino]imidazolidine-4,5-dione
CID 136723604
(4-methylthian-4-yl)methyl 4-methylbenzenesulfonate
CID 118619462
4-methylthiane-4-carbonitrile
CID 67344978
4-ethylthian-4-ol
CID 83681865
[4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine
CID 62938084
tert-butyl 4-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4-methylpiperidine-1-carboxylate
CID 110032114

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(nitrosomethyl)thiane?
The IUPAC name of 4-methyl-4-(nitrosomethyl)thiane (CID 143603804) is 4-methyl-4-(nitrosomethyl)thiane.
What is the SMILES notation for 4-methyl-4-(nitrosomethyl)thiane?
The canonical SMILES for 4-methyl-4-(nitrosomethyl)thiane is CC1(CN=O)CCSCC1.
What is the InChIKey of 4-methyl-4-(nitrosomethyl)thiane?
The InChIKey is VNUWHABFUAPCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-7(6-8-9)2-4-10-5-3-7/h2-6H2,1H3.
What are the key properties of 4-methyl-4-(nitrosomethyl)thiane?
4-methyl-4-(nitrosomethyl)thiane has a molecular weight of 159.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(nitrosomethyl)thiane is sourced from PubChem (CID 143603804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).