N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide

C15H21NOS — CID 110858311

IUPACN-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1CCSC1
InChIInChI=1S/C15H21NOS/c1-10(2)13-6-4-5-11(3)14(13)16-15(17)12-7-8-18-9-12/h4-6,10,12H,7-9H2,1-3H3,(H,16,17)
InChIKeyZUHYMIBTGUFOEJ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.81
Rot. Bonds3

About N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide

N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide (PubChem CID 110858311) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide
PubChem CID110858311
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1CCSC1
InChIInChI=1S/C15H21NOS/c1-10(2)13-6-4-5-11(3)14(13)16-15(17)12-7-8-18-9-12/h4-6,10,12H,7-9H2,1-3H3,(H,16,17)
InChIKeyZUHYMIBTGUFOEJ-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672180
4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149581
N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263416
4-N,4-N-diethyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149435
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 5061547
4-methyl-3-(thiolane-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914741
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113006910
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202942
(1S,2R,3S,4S)-3-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51014204
2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid
CID 62711201

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide (CID 110858311) is N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide is Cc1cccc(C(C)C)c1NC(=O)C1CCSC1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide?
The InChIKey is ZUHYMIBTGUFOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-10(2)13-6-4-5-11(3)14(13)16-15(17)12-7-8-18-9-12/h4-6,10,12H,7-9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide?
N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide has a molecular weight of 263.41 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide is sourced from PubChem (CID 110858311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).