[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid

C14H21NO2S — CID 115171438

IUPAC[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid
SMILESCC(C)Sc1ccc(C(C)(C)CNC(=O)O)cc1
InChIInChI=1S/C14H21NO2S/c1-10(2)18-12-7-5-11(6-8-12)14(3,4)9-15-13(16)17/h5-8,10,15H,9H2,1-4H3,(H,16,17)
InChIKeyZNKHZSGOMYOLIB-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.73
Rot. Bonds5

About [2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid

[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid (PubChem CID 115171438) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is [2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid.

Molecular Properties

Compound Name[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid
PubChem CID115171438
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid
SMILESCC(C)Sc1ccc(C(C)(C)CNC(=O)O)cc1
InChIInChI=1S/C14H21NO2S/c1-10(2)18-12-7-5-11(6-8-12)14(3,4)9-15-13(16)17/h5-8,10,15H,9H2,1-4H3,(H,16,17)
InChIKeyZNKHZSGOMYOLIB-UHFFFAOYSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamoyl bromide
CID 115194275
[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
CID 115171362
N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 115261466
[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid
CID 115171370
N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 95368026
2-(4-propan-2-ylsulfanylphenyl)propan-2-ol
CID 84677942
[2-methyl-2-(4-methylsulfanylphenyl)propyl]carbamothioic S-acid
CID 115170564
(4-propan-2-ylsulfanylphenyl)carbamic acid
CID 115170656
2-(4-propan-2-ylsulfanylanilino)acetic acid
CID 82494664
N',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide
CID 116847204
N-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide
CID 119643680
2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide
CID 115151844

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid?
The IUPAC name of [2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid (CID 115171438) is [2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid.
What is the SMILES notation for [2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid?
The canonical SMILES for [2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid is CC(C)Sc1ccc(C(C)(C)CNC(=O)O)cc1.
What is the InChIKey of [2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid?
The InChIKey is ZNKHZSGOMYOLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10(2)18-12-7-5-11(6-8-12)14(3,4)9-15-13(16)17/h5-8,10,15H,9H2,1-4H3,(H,16,17).
What are the key properties of [2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid?
[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid has a molecular weight of 267.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid is sourced from PubChem (CID 115171438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).