N-(2-propylphenyl)thian-3-amine

C14H21NS — CID 62871075

IUPACN-(2-propylphenyl)thian-3-amine
SMILESCCCc1ccccc1NC1CCCSC1
InChIInChI=1S/C14H21NS/c1-2-6-12-7-3-4-9-14(12)15-13-8-5-10-16-11-13/h3-4,7,9,13,15H,2,5-6,8,10-11H2,1H3
InChIKeyZQHDBELBHOQPGC-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.95
Rot. Bonds4

About N-(2-propylphenyl)thian-3-amine

N-(2-propylphenyl)thian-3-amine (PubChem CID 62871075) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-(2-propylphenyl)thian-3-amine.

Molecular Properties

Compound NameN-(2-propylphenyl)thian-3-amine
PubChem CID62871075
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-(2-propylphenyl)thian-3-amine
SMILESCCCc1ccccc1NC1CCCSC1
InChIInChI=1S/C14H21NS/c1-2-6-12-7-3-4-9-14(12)15-13-8-5-10-16-11-13/h3-4,7,9,13,15H,2,5-6,8,10-11H2,1H3
InChIKeyZQHDBELBHOQPGC-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-propylphenyl)thian-3-amine?
The IUPAC name of N-(2-propylphenyl)thian-3-amine (CID 62871075) is N-(2-propylphenyl)thian-3-amine.
What is the SMILES notation for N-(2-propylphenyl)thian-3-amine?
The canonical SMILES for N-(2-propylphenyl)thian-3-amine is CCCc1ccccc1NC1CCCSC1.
What is the InChIKey of N-(2-propylphenyl)thian-3-amine?
The InChIKey is ZQHDBELBHOQPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-2-6-12-7-3-4-9-14(12)15-13-8-5-10-16-11-13/h3-4,7,9,13,15H,2,5-6,8,10-11H2,1H3.
What are the key properties of N-(2-propylphenyl)thian-3-amine?
N-(2-propylphenyl)thian-3-amine has a molecular weight of 235.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylphenyl)thian-3-amine is sourced from PubChem (CID 62871075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).