N-methyl-4-(thietan-3-yl)butan-2-amine

C8H17NS — CID 84650955

IUPACN-methyl-4-(thietan-3-yl)butan-2-amine
SMILESCNC(C)CCC1CSC1
InChIInChI=1S/C8H17NS/c1-7(9-2)3-4-8-5-10-6-8/h7-9H,3-6H2,1-2H3
InChIKeyQJEQQOGQJDWCCP-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.74
Rot. Bonds4

About N-methyl-4-(thietan-3-yl)butan-2-amine

N-methyl-4-(thietan-3-yl)butan-2-amine (PubChem CID 84650955) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-methyl-4-(thietan-3-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(thietan-3-yl)butan-2-amine
PubChem CID84650955
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-methyl-4-(thietan-3-yl)butan-2-amine
SMILESCNC(C)CCC1CSC1
InChIInChI=1S/C8H17NS/c1-7(9-2)3-4-8-5-10-6-8/h7-9H,3-6H2,1-2H3
InChIKeyQJEQQOGQJDWCCP-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(thietan-3-yl)butan-2-amine?
The IUPAC name of N-methyl-4-(thietan-3-yl)butan-2-amine (CID 84650955) is N-methyl-4-(thietan-3-yl)butan-2-amine.
What is the SMILES notation for N-methyl-4-(thietan-3-yl)butan-2-amine?
The canonical SMILES for N-methyl-4-(thietan-3-yl)butan-2-amine is CNC(C)CCC1CSC1.
What is the InChIKey of N-methyl-4-(thietan-3-yl)butan-2-amine?
The InChIKey is QJEQQOGQJDWCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(9-2)3-4-8-5-10-6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-methyl-4-(thietan-3-yl)butan-2-amine?
N-methyl-4-(thietan-3-yl)butan-2-amine has a molecular weight of 159.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(thietan-3-yl)butan-2-amine is sourced from PubChem (CID 84650955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).