imino-methyl-oxo-(3-propan-2-ylcyclopentyl)-λ6-sulfane

C9H19NOS — CID 167284365

IUPACimino-methyl-oxo-(3-propan-2-ylcyclopentyl)-λ6-sulfane
SMILES[H]N=S(C)(=O)C1CCC(C(C)C)C1
InChIInChI=1S/C9H19NOS/c1-7(2)8-4-5-9(6-8)12(3,10)11/h7-10H,4-6H2,1-3H3
InChIKeyHVEALTSQPCPHEO-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.49
Rot. Bonds2

About imino-methyl-oxo-(3-propan-2-ylcyclopentyl)-λ6-sulfane

imino-methyl-oxo-(3-propan-2-ylcyclopentyl)-λ6-sulfane (PubChem CID 167284365) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is imino-methyl-oxo-(3-propan-2-ylcyclopentyl)-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-oxo-(3-propan-2-ylcyclopentyl)-λ6-sulfane
PubChem CID167284365
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Nameimino-methyl-oxo-(3-propan-2-ylcyclopentyl)-λ6-sulfane
SMILES[H]N=S(C)(=O)C1CCC(C(C)C)C1
InChIInChI=1S/C9H19NOS/c1-7(2)8-4-5-9(6-8)12(3,10)11/h7-10H,4-6H2,1-3H3
InChIKeyHVEALTSQPCPHEO-UHFFFAOYSA-N
XLogP2.49
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze imino-methyl-oxo-(3-propan-2-ylcyclopentyl)-λ6-sulfane 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

cyclobutyl-imino-methyl-oxo-λ6-sulfane
CID 167262038
propan-2-ylcyclopropane;hydroiodide
CID 162314014
(1R)-1-(4-methylsulfonylcyclohexyl)ethanol
CID 166828331
2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 62739877
(1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 58395041
2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine
CID 63191907
(3S)-3-propan-2-ylcyclopentan-1-amine
CID 140882360
cis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane
CID 147316597
imino-methyl-[1-(3-methylbutyl)azetidin-3-yl]-oxo-λ6-sulfane
CID 166562090
(3R)-1-methylsulfonyl-3-propan-2-yloxycyclopentane
CID 121261761
imino-methyl-[1-(3-methylbutyl)piperidin-4-yl]-oxo-λ6-sulfane
CID 167284354
4-propan-2-yl-1,2-bis(prop-1-en-2-yl)cyclohexane
CID 58674060

Frequently Asked Questions

What is the IUPAC name of imino-methyl-oxo-(3-propan-2-ylcyclopentyl)-λ6-sulfane?
The IUPAC name of imino-methyl-oxo-(3-propan-2-ylcyclopentyl)-λ6-sulfane (CID 167284365) is imino-methyl-oxo-(3-propan-2-ylcyclopentyl)-λ6-sulfane.
What is the SMILES notation for imino-methyl-oxo-(3-propan-2-ylcyclopentyl)-λ6-sulfane?
The canonical SMILES for imino-methyl-oxo-(3-propan-2-ylcyclopentyl)-λ6-sulfane is [H]N=S(C)(=O)C1CCC(C(C)C)C1.
What is the InChIKey of imino-methyl-oxo-(3-propan-2-ylcyclopentyl)-λ6-sulfane?
The InChIKey is HVEALTSQPCPHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-7(2)8-4-5-9(6-8)12(3,10)11/h7-10H,4-6H2,1-3H3.
What are the key properties of imino-methyl-oxo-(3-propan-2-ylcyclopentyl)-λ6-sulfane?
imino-methyl-oxo-(3-propan-2-ylcyclopentyl)-λ6-sulfane has a molecular weight of 189.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-oxo-(3-propan-2-ylcyclopentyl)-λ6-sulfane is sourced from PubChem (CID 167284365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).