N-(1-methylsulfanylpropan-2-yl)aniline

C10H15NS — CID 12936069

IUPACN-(1-methylsulfanylpropan-2-yl)aniline
SMILESCSCC(C)Nc1ccccc1
InChIInChI=1S/C10H15NS/c1-9(8-12-2)11-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyWQRKCGMTIZVRQH-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.85
Rot. Bonds4

About N-(1-methylsulfanylpropan-2-yl)aniline

N-(1-methylsulfanylpropan-2-yl)aniline (PubChem CID 12936069) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is N-(1-methylsulfanylpropan-2-yl)aniline.

Molecular Properties

Compound NameN-(1-methylsulfanylpropan-2-yl)aniline
PubChem CID12936069
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC NameN-(1-methylsulfanylpropan-2-yl)aniline
SMILESCSCC(C)Nc1ccccc1
InChIInChI=1S/C10H15NS/c1-9(8-12-2)11-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyWQRKCGMTIZVRQH-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylpropan-2-yl)aniline?
The IUPAC name of N-(1-methylsulfanylpropan-2-yl)aniline (CID 12936069) is N-(1-methylsulfanylpropan-2-yl)aniline.
What is the SMILES notation for N-(1-methylsulfanylpropan-2-yl)aniline?
The canonical SMILES for N-(1-methylsulfanylpropan-2-yl)aniline is CSCC(C)Nc1ccccc1.
What is the InChIKey of N-(1-methylsulfanylpropan-2-yl)aniline?
The InChIKey is WQRKCGMTIZVRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-9(8-12-2)11-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of N-(1-methylsulfanylpropan-2-yl)aniline?
N-(1-methylsulfanylpropan-2-yl)aniline has a molecular weight of 181.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylpropan-2-yl)aniline is sourced from PubChem (CID 12936069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).