1-methyl-3-(propan-2-ylsulfanylmethyl)azetidine

C8H17NS — CID 146188282

IUPAC1-methyl-3-(propan-2-ylsulfanylmethyl)azetidine
SMILESCC(C)SCC1CN(C)C1
InChIInChI=1S/C8H17NS/c1-7(2)10-6-8-4-9(3)5-8/h7-8H,4-6H2,1-3H3
InChIKeyMKGXWYZSEGASTA-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.69
Rot. Bonds3

About 1-methyl-3-(propan-2-ylsulfanylmethyl)azetidine

1-methyl-3-(propan-2-ylsulfanylmethyl)azetidine (PubChem CID 146188282) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-methyl-3-(propan-2-ylsulfanylmethyl)azetidine.

Molecular Properties

Compound Name1-methyl-3-(propan-2-ylsulfanylmethyl)azetidine
PubChem CID146188282
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-methyl-3-(propan-2-ylsulfanylmethyl)azetidine
SMILESCC(C)SCC1CN(C)C1
InChIInChI=1S/C8H17NS/c1-7(2)10-6-8-4-9(3)5-8/h7-8H,4-6H2,1-3H3
InChIKeyMKGXWYZSEGASTA-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isobutyl 2-diethylaminoethyl sulfide
CID 58756929
Dimethyl-[3-(propylthio)propyl]amine
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2,2,6-Trimethyl-2lambda4-thia-6-azaspiro[3.3]heptane
CID 21021851
1,3-Dimethyl-3-(methylsulfanylmethyl)azetidine
CID 21041050
N,N-dimethyl-3-propan-2-ylsulfanylpropan-1-amine
CID 57742796
3-Tert-butylsulfanyl-1-methylazetidine
CID 59522762
1-Tert-butyl-3-tert-butylsulfanylazetidine
CID 59522765
1-(3-Methylbutyl)-3-methylsulfanylazetidine
CID 59761969
1-Tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine
CID 89248913
1-Tert-butyl-3-(methylsulfanylmethyl)azetidine
CID 90030249
N-methyl-N-[(3-methylthietan-3-yl)methyl]ethanamine
CID 117627931
3-Methyl-1-(thian-4-yl)azetidine
CID 117957404

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(propan-2-ylsulfanylmethyl)azetidine?
The IUPAC name of 1-methyl-3-(propan-2-ylsulfanylmethyl)azetidine (CID 146188282) is 1-methyl-3-(propan-2-ylsulfanylmethyl)azetidine.
What is the SMILES notation for 1-methyl-3-(propan-2-ylsulfanylmethyl)azetidine?
The canonical SMILES for 1-methyl-3-(propan-2-ylsulfanylmethyl)azetidine is CC(C)SCC1CN(C)C1.
What is the InChIKey of 1-methyl-3-(propan-2-ylsulfanylmethyl)azetidine?
The InChIKey is MKGXWYZSEGASTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)10-6-8-4-9(3)5-8/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-methyl-3-(propan-2-ylsulfanylmethyl)azetidine?
1-methyl-3-(propan-2-ylsulfanylmethyl)azetidine has a molecular weight of 159.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(propan-2-ylsulfanylmethyl)azetidine is sourced from PubChem (CID 146188282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).