2-(1-methylcyclohexyl)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]acetamide

C14H27NO2S — CID 97241021

IUPAC2-(1-methylcyclohexyl)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]acetamide
SMILESC[C@@H](CCNC(=O)CC1(C)CCCCC1)[S@](C)=O
InChIInChI=1S/C14H27NO2S/c1-12(18(3)17)7-10-15-13(16)11-14(2)8-5-4-6-9-14/h12H,4-11H2,1-3H3,(H,15,16)/t12-,18-/m0/s1
InChIKeyMFYLJRZPPQGJTI-SGTLLEGYSA-N
MW273.44 g/mol
LogP2.62
Rot. Bonds6

About 2-(1-methylcyclohexyl)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]acetamide

2-(1-methylcyclohexyl)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]acetamide (PubChem CID 97241021) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-(1-methylcyclohexyl)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]acetamide.

Molecular Properties

Compound Name2-(1-methylcyclohexyl)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]acetamide
PubChem CID97241021
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name2-(1-methylcyclohexyl)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]acetamide
SMILESC[C@@H](CCNC(=O)CC1(C)CCCCC1)[S@](C)=O
InChIInChI=1S/C14H27NO2S/c1-12(18(3)17)7-10-15-13(16)11-14(2)8-5-4-6-9-14/h12H,4-11H2,1-3H3,(H,15,16)/t12-,18-/m0/s1
InChIKeyMFYLJRZPPQGJTI-SGTLLEGYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylsulfinylbutyl)piperidine-1-carboxamide
CID 116657935
1-[(3-methylsulfinylbutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 113490762
(2S)-2-amino-N-(3-methylsulfinylbutyl)propanamide
CID 103798205
2-(1-methylcyclohexyl)acetohydrazide
CID 131019912
1,1-dimethyl-3-(3-methylsulfinylbutyl)urea
CID 115729496
2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide
CID 115740859
2-amino-N-(3-methylsulfinylbutyl)butanamide
CID 115734815
(2R)-2-(3-methylsulfinylbutylcarbamoylamino)propanoic acid
CID 104866570
N-(3-methylbutyl)-2-(3-methylsulfinylbutylamino)propanamide
CID 113490444
4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide
CID 113490476
1-(3-methylsulfinylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 113490689
2-carbamothioyl-N-(3-methylsulfinylbutyl)pentanamide
CID 113490493

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexyl)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]acetamide?
The IUPAC name of 2-(1-methylcyclohexyl)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]acetamide (CID 97241021) is 2-(1-methylcyclohexyl)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]acetamide.
What is the SMILES notation for 2-(1-methylcyclohexyl)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]acetamide?
The canonical SMILES for 2-(1-methylcyclohexyl)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]acetamide is C[C@@H](CCNC(=O)CC1(C)CCCCC1)[S@](C)=O.
What is the InChIKey of 2-(1-methylcyclohexyl)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]acetamide?
The InChIKey is MFYLJRZPPQGJTI-SGTLLEGYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-12(18(3)17)7-10-15-13(16)11-14(2)8-5-4-6-9-14/h12H,4-11H2,1-3H3,(H,15,16)/t12-,18-/m0/s1.
What are the key properties of 2-(1-methylcyclohexyl)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]acetamide?
2-(1-methylcyclohexyl)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]acetamide has a molecular weight of 273.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexyl)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]acetamide is sourced from PubChem (CID 97241021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).