N-(3-methoxy-2,2,3-trimethylcyclobutyl)thietan-3-amine

C11H21NOS — CID 130620786

IUPACN-(3-methoxy-2,2,3-trimethylcyclobutyl)thietan-3-amine
SMILESCOC1(C)CC(NC2CSC2)C1(C)C
InChIInChI=1S/C11H21NOS/c1-10(2)9(5-11(10,3)13-4)12-8-6-14-7-8/h8-9,12H,5-7H2,1-4H3
InChIKeyLMTCBFBKDGAGBO-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.89
Rot. Bonds3

About N-(3-methoxy-2,2,3-trimethylcyclobutyl)thietan-3-amine

N-(3-methoxy-2,2,3-trimethylcyclobutyl)thietan-3-amine (PubChem CID 130620786) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-(3-methoxy-2,2,3-trimethylcyclobutyl)thietan-3-amine.

Molecular Properties

Compound NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)thietan-3-amine
PubChem CID130620786
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)thietan-3-amine
SMILESCOC1(C)CC(NC2CSC2)C1(C)C
InChIInChI=1S/C11H21NOS/c1-10(2)9(5-11(10,3)13-4)12-8-6-14-7-8/h8-9,12H,5-7H2,1-4H3
InChIKeyLMTCBFBKDGAGBO-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methoxy-2,2,3-trimethylcyclobutyl)thietan-3-amine 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

N-(3-methoxy-2,2,3-trimethylcyclobutyl)cyclohex-3-en-1-amine
CID 115890854
N-ethyl-3-methoxy-2,2,3-trimethylcyclobutan-1-amine
CID 115749689
N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 97347162
3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine
CID 115749687
(2R)-2-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]propan-1-ol
CID 103825995
3-methoxy-2,2,3-trimethyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 115726136
N-(2-bromoprop-2-enyl)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine
CID 115749711
2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide
CID 99631339
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111756780
(2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide
CID 95906448
5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
CID 119187199
1-(dimethylamino)-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]cyclobutane-1-carboxamide
CID 99578445

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2,3-trimethylcyclobutyl)thietan-3-amine?
The IUPAC name of N-(3-methoxy-2,2,3-trimethylcyclobutyl)thietan-3-amine (CID 130620786) is N-(3-methoxy-2,2,3-trimethylcyclobutyl)thietan-3-amine.
What is the SMILES notation for N-(3-methoxy-2,2,3-trimethylcyclobutyl)thietan-3-amine?
The canonical SMILES for N-(3-methoxy-2,2,3-trimethylcyclobutyl)thietan-3-amine is COC1(C)CC(NC2CSC2)C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2,3-trimethylcyclobutyl)thietan-3-amine?
The InChIKey is LMTCBFBKDGAGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-10(2)9(5-11(10,3)13-4)12-8-6-14-7-8/h8-9,12H,5-7H2,1-4H3.
What are the key properties of N-(3-methoxy-2,2,3-trimethylcyclobutyl)thietan-3-amine?
N-(3-methoxy-2,2,3-trimethylcyclobutyl)thietan-3-amine has a molecular weight of 215.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2,3-trimethylcyclobutyl)thietan-3-amine is sourced from PubChem (CID 130620786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).