2-[(2-ethylsulfanylanilino)methyl]-2-methylbutan-1-ol

C14H23NOS — CID 81419212

IUPAC2-[(2-ethylsulfanylanilino)methyl]-2-methylbutan-1-ol
SMILESCCSc1ccccc1NCC(C)(CC)CO
InChIInChI=1S/C14H23NOS/c1-4-14(3,11-16)10-15-12-8-6-7-9-13(12)17-5-2/h6-9,15-16H,4-5,10-11H2,1-3H3
InChIKeyFMKYXOJMXGTZHA-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.62
Rot. Bonds7

About 2-[(2-ethylsulfanylanilino)methyl]-2-methylbutan-1-ol

2-[(2-ethylsulfanylanilino)methyl]-2-methylbutan-1-ol (PubChem CID 81419212) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[(2-ethylsulfanylanilino)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-ethylsulfanylanilino)methyl]-2-methylbutan-1-ol
PubChem CID81419212
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-[(2-ethylsulfanylanilino)methyl]-2-methylbutan-1-ol
SMILESCCSc1ccccc1NCC(C)(CC)CO
InChIInChI=1S/C14H23NOS/c1-4-14(3,11-16)10-15-12-8-6-7-9-13(12)17-5-2/h6-9,15-16H,4-5,10-11H2,1-3H3
InChIKeyFMKYXOJMXGTZHA-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(dimethylamino)methyl]anilino]methyl]-2-methylbutan-1-ol
CID 81418794
2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol
CID 81413196
ethyl 2-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzoate
CID 81413023
2-ethylsulfanyl-N-pentylaniline
CID 60935079
2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol
CID 81411085
3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2-methylbenzenesulfonamide
CID 81419909
2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol
CID 81411790
2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol
CID 114286965
2,2-diethyl-4-(2-ethylsulfanylanilino)-4-oxobutanoic acid
CID 60933601
2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol
CID 81412987
5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,3-dihydrophthalazine-1,4-dione
CID 81412198
3-[2-(difluoromethylsulfanyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414336

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylsulfanylanilino)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(2-ethylsulfanylanilino)methyl]-2-methylbutan-1-ol (CID 81419212) is 2-[(2-ethylsulfanylanilino)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-ethylsulfanylanilino)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(2-ethylsulfanylanilino)methyl]-2-methylbutan-1-ol is CCSc1ccccc1NCC(C)(CC)CO.
What is the InChIKey of 2-[(2-ethylsulfanylanilino)methyl]-2-methylbutan-1-ol?
The InChIKey is FMKYXOJMXGTZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-14(3,11-16)10-15-12-8-6-7-9-13(12)17-5-2/h6-9,15-16H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[(2-ethylsulfanylanilino)methyl]-2-methylbutan-1-ol?
2-[(2-ethylsulfanylanilino)methyl]-2-methylbutan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylsulfanylanilino)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81419212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).