4-(thietan-2-yl)butan-2-amine

C7H15NS — CID 84649064

IUPAC4-(thietan-2-yl)butan-2-amine
SMILESCC(N)CCC1CCS1
InChIInChI=1S/C7H15NS/c1-6(8)2-3-7-4-5-9-7/h6-7H,2-5,8H2,1H3
InChIKeyVNDQSUYPRFWUNH-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.62
Rot. Bonds3

About 4-(thietan-2-yl)butan-2-amine

4-(thietan-2-yl)butan-2-amine (PubChem CID 84649064) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 4-(thietan-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-(thietan-2-yl)butan-2-amine
PubChem CID84649064
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name4-(thietan-2-yl)butan-2-amine
SMILESCC(N)CCC1CCS1
InChIInChI=1S/C7H15NS/c1-6(8)2-3-7-4-5-9-7/h6-7H,2-5,8H2,1H3
InChIKeyVNDQSUYPRFWUNH-UHFFFAOYSA-N
XLogP1.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(thietan-2-yl)butan-2-amine?
The IUPAC name of 4-(thietan-2-yl)butan-2-amine (CID 84649064) is 4-(thietan-2-yl)butan-2-amine.
What is the SMILES notation for 4-(thietan-2-yl)butan-2-amine?
The canonical SMILES for 4-(thietan-2-yl)butan-2-amine is CC(N)CCC1CCS1.
What is the InChIKey of 4-(thietan-2-yl)butan-2-amine?
The InChIKey is VNDQSUYPRFWUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6(8)2-3-7-4-5-9-7/h6-7H,2-5,8H2,1H3.
What are the key properties of 4-(thietan-2-yl)butan-2-amine?
4-(thietan-2-yl)butan-2-amine has a molecular weight of 145.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thietan-2-yl)butan-2-amine is sourced from PubChem (CID 84649064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).