4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide

C13H25NO2S — CID 100650066

IUPAC4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NC[C@@H](C)[S@@](C)=O)CC1
InChIInChI=1S/C13H25NO2S/c1-4-11-5-7-12(8-6-11)13(15)14-9-10(2)17(3)16/h10-12H,4-9H2,1-3H3,(H,14,15)/t10-,11?,12?,17-/m1/s1
InChIKeyNSMPLQAZCQPYOW-DLZWWPQDSA-N
MW259.41 g/mol
LogP2.09
Rot. Bonds5

About 4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide

4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide (PubChem CID 100650066) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide
PubChem CID100650066
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NC[C@@H](C)[S@@](C)=O)CC1
InChIInChI=1S/C13H25NO2S/c1-4-11-5-7-12(8-6-11)13(15)14-9-10(2)17(3)16/h10-12H,4-9H2,1-3H3,(H,14,15)/t10-,11?,12?,17-/m1/s1
InChIKeyNSMPLQAZCQPYOW-DLZWWPQDSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 115764461
4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
N-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine
CID 115764167
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 113484428
(3R)-N-[(2R)-2-[(S)-methylsulfinyl]propyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97241698
4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide
CID 79519601
N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide
CID 166321617
4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide
CID 114424544
4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144258
N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide
CID 115763587

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide (CID 100650066) is 4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide is CCC1CCC(C(=O)NC[C@@H](C)[S@@](C)=O)CC1.
What is the InChIKey of 4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide?
The InChIKey is NSMPLQAZCQPYOW-DLZWWPQDSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-4-11-5-7-12(8-6-11)13(15)14-9-10(2)17(3)16/h10-12H,4-9H2,1-3H3,(H,14,15)/t10-,11?,12?,17-/m1/s1.
What are the key properties of 4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide?
4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide has a molecular weight of 259.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 100650066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).