4,4-dimethyl-N-prop-1-en-2-ylthiolan-3-amine

C9H17NS — CID 145428550

IUPAC4,4-dimethyl-N-prop-1-en-2-ylthiolan-3-amine
SMILESC=C(C)NC1CSCC1(C)C
InChIInChI=1S/C9H17NS/c1-7(2)10-8-5-11-6-9(8,3)4/h8,10H,1,5-6H2,2-4H3
InChIKeyPAZNWJSKMCQKCZ-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.25
Rot. Bonds2

About 4,4-dimethyl-N-prop-1-en-2-ylthiolan-3-amine

4,4-dimethyl-N-prop-1-en-2-ylthiolan-3-amine (PubChem CID 145428550) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4,4-dimethyl-N-prop-1-en-2-ylthiolan-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-prop-1-en-2-ylthiolan-3-amine
PubChem CID145428550
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4,4-dimethyl-N-prop-1-en-2-ylthiolan-3-amine
SMILESC=C(C)NC1CSCC1(C)C
InChIInChI=1S/C9H17NS/c1-7(2)10-8-5-11-6-9(8,3)4/h8,10H,1,5-6H2,2-4H3
InChIKeyPAZNWJSKMCQKCZ-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-prop-1-en-2-ylthiolan-3-amine?
The IUPAC name of 4,4-dimethyl-N-prop-1-en-2-ylthiolan-3-amine (CID 145428550) is 4,4-dimethyl-N-prop-1-en-2-ylthiolan-3-amine.
What is the SMILES notation for 4,4-dimethyl-N-prop-1-en-2-ylthiolan-3-amine?
The canonical SMILES for 4,4-dimethyl-N-prop-1-en-2-ylthiolan-3-amine is C=C(C)NC1CSCC1(C)C.
What is the InChIKey of 4,4-dimethyl-N-prop-1-en-2-ylthiolan-3-amine?
The InChIKey is PAZNWJSKMCQKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-7(2)10-8-5-11-6-9(8,3)4/h8,10H,1,5-6H2,2-4H3.
What are the key properties of 4,4-dimethyl-N-prop-1-en-2-ylthiolan-3-amine?
4,4-dimethyl-N-prop-1-en-2-ylthiolan-3-amine has a molecular weight of 171.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-prop-1-en-2-ylthiolan-3-amine is sourced from PubChem (CID 145428550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).