(3-propan-2-ylsulfanyloxetan-3-yl)methanamine

C7H15NOS — CID 117035316

IUPAC(3-propan-2-ylsulfanyloxetan-3-yl)methanamine
SMILESCC(C)SC1(CN)COC1
InChIInChI=1S/C7H15NOS/c1-6(2)10-7(3-8)4-9-5-7/h6H,3-5,8H2,1-2H3
InChIKeyKZIAGCSDQVAPKG-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.86
Rot. Bonds3

About (3-propan-2-ylsulfanyloxetan-3-yl)methanamine

(3-propan-2-ylsulfanyloxetan-3-yl)methanamine (PubChem CID 117035316) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is (3-propan-2-ylsulfanyloxetan-3-yl)methanamine.

Molecular Properties

Compound Name(3-propan-2-ylsulfanyloxetan-3-yl)methanamine
PubChem CID117035316
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name(3-propan-2-ylsulfanyloxetan-3-yl)methanamine
SMILESCC(C)SC1(CN)COC1
InChIInChI=1S/C7H15NOS/c1-6(2)10-7(3-8)4-9-5-7/h6H,3-5,8H2,1-2H3
InChIKeyKZIAGCSDQVAPKG-UHFFFAOYSA-N
XLogP0.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylsulfanyloxetan-3-yl)methanamine?
The IUPAC name of (3-propan-2-ylsulfanyloxetan-3-yl)methanamine (CID 117035316) is (3-propan-2-ylsulfanyloxetan-3-yl)methanamine.
What is the SMILES notation for (3-propan-2-ylsulfanyloxetan-3-yl)methanamine?
The canonical SMILES for (3-propan-2-ylsulfanyloxetan-3-yl)methanamine is CC(C)SC1(CN)COC1.
What is the InChIKey of (3-propan-2-ylsulfanyloxetan-3-yl)methanamine?
The InChIKey is KZIAGCSDQVAPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-6(2)10-7(3-8)4-9-5-7/h6H,3-5,8H2,1-2H3.
What are the key properties of (3-propan-2-ylsulfanyloxetan-3-yl)methanamine?
(3-propan-2-ylsulfanyloxetan-3-yl)methanamine has a molecular weight of 161.27 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylsulfanyloxetan-3-yl)methanamine is sourced from PubChem (CID 117035316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).