2-(1-amino-2-methylpropan-2-yl)sulfanylaniline

C10H16N2S — CID 82505671

IUPAC2-(1-amino-2-methylpropan-2-yl)sulfanylaniline
SMILESCC(C)(CN)Sc1ccccc1N
InChIInChI=1S/C10H16N2S/c1-10(2,7-11)13-9-6-4-3-5-8(9)12/h3-6H,7,11-12H2,1-2H3
InChIKeyZTLZREKYIXWKJK-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.10
Rot. Bonds3

About 2-(1-amino-2-methylpropan-2-yl)sulfanylaniline

2-(1-amino-2-methylpropan-2-yl)sulfanylaniline (PubChem CID 82505671) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropan-2-yl)sulfanylaniline.

Molecular Properties

Compound Name2-(1-amino-2-methylpropan-2-yl)sulfanylaniline
PubChem CID82505671
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-(1-amino-2-methylpropan-2-yl)sulfanylaniline
SMILESCC(C)(CN)Sc1ccccc1N
InChIInChI=1S/C10H16N2S/c1-10(2,7-11)13-9-6-4-3-5-8(9)12/h3-6H,7,11-12H2,1-2H3
InChIKeyZTLZREKYIXWKJK-UHFFFAOYSA-N
XLogP2.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol
CID 79356210
2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine
CID 116853574
ethane;2-propylsulfanylaniline
CID 143337712
2-[[3,5-bis[(2-aminophenyl)sulfanylmethyl]-2,4,6-trimethylphenyl]methylsulfanyl]aniline
CID 11341583
2-(3,3,3-trifluoropropylsulfanyl)aniline
CID 64564843
2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride
CID 54599340
2-(pyridin-4-ylmethylsulfanyl)aniline
CID 12618215
2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 130649322
2-[2-(2-aminoethoxy)ethylsulfanyl]aniline
CID 103482660
2-(trideuteriomethylsulfanyl)aniline
CID 164667459
2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine
CID 117032593
4-[1,1-bis[(2-aminophenyl)sulfanyl]ethoxycarbonyl]benzoic acid
CID 139432975

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropan-2-yl)sulfanylaniline?
The IUPAC name of 2-(1-amino-2-methylpropan-2-yl)sulfanylaniline (CID 82505671) is 2-(1-amino-2-methylpropan-2-yl)sulfanylaniline.
What is the SMILES notation for 2-(1-amino-2-methylpropan-2-yl)sulfanylaniline?
The canonical SMILES for 2-(1-amino-2-methylpropan-2-yl)sulfanylaniline is CC(C)(CN)Sc1ccccc1N.
What is the InChIKey of 2-(1-amino-2-methylpropan-2-yl)sulfanylaniline?
The InChIKey is ZTLZREKYIXWKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-10(2,7-11)13-9-6-4-3-5-8(9)12/h3-6H,7,11-12H2,1-2H3.
What are the key properties of 2-(1-amino-2-methylpropan-2-yl)sulfanylaniline?
2-(1-amino-2-methylpropan-2-yl)sulfanylaniline has a molecular weight of 196.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropan-2-yl)sulfanylaniline is sourced from PubChem (CID 82505671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).