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

C10H21NS — CID 137471119

IUPAC1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)azetidine
SMILESCC(C)SCC1CN(C(C)C)C1
InChIInChI=1S/C10H21NS/c1-8(2)11-5-10(6-11)7-12-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyCYZFOMMOULZIEQ-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.47
Rot. Bonds4

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

1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)azetidine (PubChem CID 137471119) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)azetidine.

Molecular Properties

Compound Name1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)azetidine
PubChem CID137471119
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)azetidine
SMILESCC(C)SCC1CN(C(C)C)C1
InChIInChI=1S/C10H21NS/c1-8(2)11-5-10(6-11)7-12-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyCYZFOMMOULZIEQ-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)azetidine?
The IUPAC name of 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)azetidine (CID 137471119) is 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)azetidine.
What is the SMILES notation for 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)azetidine?
The canonical SMILES for 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)azetidine is CC(C)SCC1CN(C(C)C)C1.
What is the InChIKey of 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)azetidine?
The InChIKey is CYZFOMMOULZIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-8(2)11-5-10(6-11)7-12-9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)azetidine?
1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)azetidine has a molecular weight of 187.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)azetidine is sourced from PubChem (CID 137471119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).