4-methyl-N-prop-1-en-2-ylthiolan-3-amine

C8H15NS — CID 146536186

IUPAC4-methyl-N-prop-1-en-2-ylthiolan-3-amine
SMILESC=C(C)NC1CSCC1C
InChIInChI=1S/C8H15NS/c1-6(2)9-8-5-10-4-7(8)3/h7-9H,1,4-5H2,2-3H3
InChIKeyPKINDAHOGQHSQW-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.86
Rot. Bonds2

About 4-methyl-N-prop-1-en-2-ylthiolan-3-amine

4-methyl-N-prop-1-en-2-ylthiolan-3-amine (PubChem CID 146536186) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 4-methyl-N-prop-1-en-2-ylthiolan-3-amine.

Molecular Properties

Compound Name4-methyl-N-prop-1-en-2-ylthiolan-3-amine
PubChem CID146536186
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name4-methyl-N-prop-1-en-2-ylthiolan-3-amine
SMILESC=C(C)NC1CSCC1C
InChIInChI=1S/C8H15NS/c1-6(2)9-8-5-10-4-7(8)3/h7-9H,1,4-5H2,2-3H3
InChIKeyPKINDAHOGQHSQW-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-prop-1-en-2-ylthiolan-3-amine?
The IUPAC name of 4-methyl-N-prop-1-en-2-ylthiolan-3-amine (CID 146536186) is 4-methyl-N-prop-1-en-2-ylthiolan-3-amine.
What is the SMILES notation for 4-methyl-N-prop-1-en-2-ylthiolan-3-amine?
The canonical SMILES for 4-methyl-N-prop-1-en-2-ylthiolan-3-amine is C=C(C)NC1CSCC1C.
What is the InChIKey of 4-methyl-N-prop-1-en-2-ylthiolan-3-amine?
The InChIKey is PKINDAHOGQHSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-6(2)9-8-5-10-4-7(8)3/h7-9H,1,4-5H2,2-3H3.
What are the key properties of 4-methyl-N-prop-1-en-2-ylthiolan-3-amine?
4-methyl-N-prop-1-en-2-ylthiolan-3-amine has a molecular weight of 157.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-prop-1-en-2-ylthiolan-3-amine is sourced from PubChem (CID 146536186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).