2-methyl-N-(2-propylphenyl)thiolan-3-amine

C14H21NS — CID 102670993

IUPAC2-methyl-N-(2-propylphenyl)thiolan-3-amine
SMILESCCCc1ccccc1NC1CCSC1C
InChIInChI=1S/C14H21NS/c1-3-6-12-7-4-5-8-14(12)15-13-9-10-16-11(13)2/h4-5,7-8,11,13,15H,3,6,9-10H2,1-2H3
InChIKeyOUFZNNPPKAFJPT-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.94
Rot. Bonds4

About 2-methyl-N-(2-propylphenyl)thiolan-3-amine

2-methyl-N-(2-propylphenyl)thiolan-3-amine (PubChem CID 102670993) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 2-methyl-N-(2-propylphenyl)thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-propylphenyl)thiolan-3-amine
PubChem CID102670993
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name2-methyl-N-(2-propylphenyl)thiolan-3-amine
SMILESCCCc1ccccc1NC1CCSC1C
InChIInChI=1S/C14H21NS/c1-3-6-12-7-4-5-8-14(12)15-13-9-10-16-11(13)2/h4-5,7-8,11,13,15H,3,6,9-10H2,1-2H3
InChIKeyOUFZNNPPKAFJPT-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propylphenyl)thiolan-3-amine?
The IUPAC name of 2-methyl-N-(2-propylphenyl)thiolan-3-amine (CID 102670993) is 2-methyl-N-(2-propylphenyl)thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-(2-propylphenyl)thiolan-3-amine?
The canonical SMILES for 2-methyl-N-(2-propylphenyl)thiolan-3-amine is CCCc1ccccc1NC1CCSC1C.
What is the InChIKey of 2-methyl-N-(2-propylphenyl)thiolan-3-amine?
The InChIKey is OUFZNNPPKAFJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-3-6-12-7-4-5-8-14(12)15-13-9-10-16-11(13)2/h4-5,7-8,11,13,15H,3,6,9-10H2,1-2H3.
What are the key properties of 2-methyl-N-(2-propylphenyl)thiolan-3-amine?
2-methyl-N-(2-propylphenyl)thiolan-3-amine has a molecular weight of 235.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propylphenyl)thiolan-3-amine is sourced from PubChem (CID 102670993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).