1-tert-butyl-3-(methylsulfanylmethyl)azetidine

C9H19NS — CID 90030249

IUPAC1-tert-butyl-3-(methylsulfanylmethyl)azetidine
SMILESCSCC1CN(C(C)(C)C)C1
InChIInChI=1S/C9H19NS/c1-9(2,3)10-5-8(6-10)7-11-4/h8H,5-7H2,1-4H3
InChIKeyIZLRCBCMWAUTSS-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.08
Rot. Bonds2

About 1-tert-butyl-3-(methylsulfanylmethyl)azetidine

1-tert-butyl-3-(methylsulfanylmethyl)azetidine (PubChem CID 90030249) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-tert-butyl-3-(methylsulfanylmethyl)azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-(methylsulfanylmethyl)azetidine
PubChem CID90030249
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-tert-butyl-3-(methylsulfanylmethyl)azetidine
SMILESCSCC1CN(C(C)(C)C)C1
InChIInChI=1S/C9H19NS/c1-9(2,3)10-5-8(6-10)7-11-4/h8H,5-7H2,1-4H3
InChIKeyIZLRCBCMWAUTSS-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-(methylsulfanylmethyl)azetidine 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-Tert-butyl-3-fluoro-3-(1-methylsulfanylethyl)azetidine
CID 169579267
N,2-dimethyl-N-(3-methylsulfanylpropyl)propan-2-amine
CID 23381578
1-Tert-butyl-3-tert-butylsulfanylazetidine
CID 59522765
1-(3-Methylbutyl)-3-methylsulfanylazetidine
CID 59761969
1-Tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine
CID 89248913
N-methyl-N-[(3-methylthietan-3-yl)methyl]ethanamine
CID 117627931
3-Methyl-1-(thian-4-yl)azetidine
CID 117957404
3-(Methylsulfinylmethyl)-1-propan-2-ylazetidine
CID 122414293
3-(Methylsulfanylmethyl)-1-propan-2-ylazetidine
CID 122414296
N,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine
CID 123680164
(1-Tert-butylazetidin-3-yl)methanethiol
CID 124157206
1-(3-Methylsulfanylpropyl)-3-propan-2-ylazetidine
CID 132122945

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(methylsulfanylmethyl)azetidine?
The IUPAC name of 1-tert-butyl-3-(methylsulfanylmethyl)azetidine (CID 90030249) is 1-tert-butyl-3-(methylsulfanylmethyl)azetidine.
What is the SMILES notation for 1-tert-butyl-3-(methylsulfanylmethyl)azetidine?
The canonical SMILES for 1-tert-butyl-3-(methylsulfanylmethyl)azetidine is CSCC1CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-(methylsulfanylmethyl)azetidine?
The InChIKey is IZLRCBCMWAUTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(2,3)10-5-8(6-10)7-11-4/h8H,5-7H2,1-4H3.
What are the key properties of 1-tert-butyl-3-(methylsulfanylmethyl)azetidine?
1-tert-butyl-3-(methylsulfanylmethyl)azetidine has a molecular weight of 173.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(methylsulfanylmethyl)azetidine is sourced from PubChem (CID 90030249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).