3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol

C11H17NOS — CID 66103746

IUPAC3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCc1cc(SCC(C)CO)ccc1N
InChIInChI=1S/C11H17NOS/c1-8(6-13)7-14-10-3-4-11(12)9(2)5-10/h3-5,8,13H,6-7,12H2,1-2H3
InChIKeyAIAUWDFRRDUSDV-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.30
Rot. Bonds4

About 3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol

3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol (PubChem CID 66103746) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol
PubChem CID66103746
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCc1cc(SCC(C)CO)ccc1N
InChIInChI=1S/C11H17NOS/c1-8(6-13)7-14-10-3-4-11(12)9(2)5-10/h3-5,8,13H,6-7,12H2,1-2H3
InChIKeyAIAUWDFRRDUSDV-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.30
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

2-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzoic acid
CID 104501169
3-(4-amino-3-methylphenyl)sulfanyl-1,1,1-trifluoropropan-2-ol
CID 79147662
methyl 3-(4-amino-3-methylphenyl)sulfanyl-2-bromopropanoate
CID 81091832
4-[(2S)-butan-2-yl]sulfanyl-2-methylaniline
CID 51684097
3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol
CID 115551305
2-bromo-N'-hydroxy-4-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 107279885
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79148077
2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline
CID 62771925
2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 79148103
3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66279373
2-methyl-4-[2-(methylamino)ethylsulfanyl]aniline
CID 79148202
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 79126761

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol (CID 66103746) is 3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol is Cc1cc(SCC(C)CO)ccc1N.
What is the InChIKey of 3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is AIAUWDFRRDUSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8(6-13)7-14-10-3-4-11(12)9(2)5-10/h3-5,8,13H,6-7,12H2,1-2H3.
What are the key properties of 3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol?
3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 211.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 66103746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).