N,5-dimethyl-2-propylsulfanylaniline

C11H17NS — CID 82264987

IUPACN,5-dimethyl-2-propylsulfanylaniline
SMILESCCCSc1ccc(C)cc1NC
InChIInChI=1S/C11H17NS/c1-4-7-13-11-6-5-9(2)8-10(11)12-3/h5-6,8,12H,4,7H2,1-3H3
InChIKeyCDKUCKCBDSJTPI-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.54
Rot. Bonds4

About N,5-dimethyl-2-propylsulfanylaniline

N,5-dimethyl-2-propylsulfanylaniline (PubChem CID 82264987) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N,5-dimethyl-2-propylsulfanylaniline.

Molecular Properties

Compound NameN,5-dimethyl-2-propylsulfanylaniline
PubChem CID82264987
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN,5-dimethyl-2-propylsulfanylaniline
SMILESCCCSc1ccc(C)cc1NC
InChIInChI=1S/C11H17NS/c1-4-7-13-11-6-5-9(2)8-10(11)12-3/h5-6,8,12H,4,7H2,1-3H3
InChIKeyCDKUCKCBDSJTPI-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,5-dimethyl-2-propylsulfanylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-propylsulfanylaniline?
The IUPAC name of N,5-dimethyl-2-propylsulfanylaniline (CID 82264987) is N,5-dimethyl-2-propylsulfanylaniline.
What is the SMILES notation for N,5-dimethyl-2-propylsulfanylaniline?
The canonical SMILES for N,5-dimethyl-2-propylsulfanylaniline is CCCSc1ccc(C)cc1NC.
What is the InChIKey of N,5-dimethyl-2-propylsulfanylaniline?
The InChIKey is CDKUCKCBDSJTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-4-7-13-11-6-5-9(2)8-10(11)12-3/h5-6,8,12H,4,7H2,1-3H3.
What are the key properties of N,5-dimethyl-2-propylsulfanylaniline?
N,5-dimethyl-2-propylsulfanylaniline has a molecular weight of 195.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-propylsulfanylaniline is sourced from PubChem (CID 82264987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).