(1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide

C16H25NOS — CID 161110122

IUPAC(1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(C)(C)[C@H]1C(=O)NCCc1cccs1
InChIInChI=1S/C16H25NOS/c1-12-6-4-9-16(2,3)14(12)15(18)17-10-8-13-7-5-11-19-13/h5,7,11-12,14H,4,6,8-10H2,1-3H3,(H,17,18)/t12?,14-/m1/s1
InChIKeyUJOQZRKKQQRFMJ-TYZXPVIJSA-N
MW279.45 g/mol
LogP3.87
Rot. Bonds4

About (1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide

(1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide (PubChem CID 161110122) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is (1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
PubChem CID161110122
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name(1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(C)(C)[C@H]1C(=O)NCCc1cccs1
InChIInChI=1S/C16H25NOS/c1-12-6-4-9-16(2,3)14(12)15(18)17-10-8-13-7-5-11-19-13/h5,7,11-12,14H,4,6,8-10H2,1-3H3,(H,17,18)/t12?,14-/m1/s1
InChIKeyUJOQZRKKQQRFMJ-TYZXPVIJSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 138571916
1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 64551642
3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 114278796
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64816964
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone
CID 107179308
1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600003
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 79527612
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431
(3R,7aR)-7a-methyl-5-oxo-N-(2-thiophen-2-ylethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 33119838
2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 138572207

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of (1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide (CID 161110122) is (1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for (1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for (1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide is CC1CCCC(C)(C)[C@H]1C(=O)NCCc1cccs1.
What is the InChIKey of (1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is UJOQZRKKQQRFMJ-TYZXPVIJSA-N. The full InChI is InChI=1S/C16H25NOS/c1-12-6-4-9-16(2,3)14(12)15(18)17-10-8-13-7-5-11-19-13/h5,7,11-12,14H,4,6,8-10H2,1-3H3,(H,17,18)/t12?,14-/m1/s1.
What are the key properties of (1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide?
(1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 279.45 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 161110122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).