(2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide

C14H20ClNO2S2 — CID 95599592

IUPAC(2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide
SMILESC[C@H](C(=O)NC1CCCCC1)[S@](=O)Cc1ccc(Cl)s1
InChIInChI=1S/C14H20ClNO2S2/c1-10(14(17)16-11-5-3-2-4-6-11)20(18)9-12-7-8-13(15)19-12/h7-8,10-11H,2-6,9H2,1H3,(H,16,17)/t10-,20-/m1/s1
InChIKeyHMYMVWNUISAOLT-CFMSYZGJSA-N
MW333.91 g/mol
LogP3.49
Rot. Bonds5

About (2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide

(2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide (PubChem CID 95599592) has the molecular formula C14H20ClNO2S2 and a molecular weight of 333.91 g/mol. Its IUPAC name is (2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide
PubChem CID95599592
Molecular FormulaC14H20ClNO2S2
Molecular Weight333.91 g/mol
Exact Mass333.06
IUPAC Name(2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide
SMILESC[C@H](C(=O)NC1CCCCC1)[S@](=O)Cc1ccc(Cl)s1
InChIInChI=1S/C14H20ClNO2S2/c1-10(14(17)16-11-5-3-2-4-6-11)20(18)9-12-7-8-13(15)19-12/h7-8,10-11H,2-6,9H2,1H3,(H,16,17)/t10-,20-/m1/s1
InChIKeyHMYMVWNUISAOLT-CFMSYZGJSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.91
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599468
(2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599447
(2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide
CID 95599579
(2R)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599486
(2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599483
2-[(5-chlorothiophen-2-yl)methylsulfinyl]-3-methylbutanoic acid
CID 105355772
3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide
CID 78850861
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide
CID 8849744
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46700299
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-cyclohexyl-2-methylguanidine
CID 110957680
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide
CID 71878718
(2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide
CID 95088901

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide?
The IUPAC name of (2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide (CID 95599592) is (2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide.
What is the SMILES notation for (2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide?
The canonical SMILES for (2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide is C[C@H](C(=O)NC1CCCCC1)[S@](=O)Cc1ccc(Cl)s1.
What is the InChIKey of (2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide?
The InChIKey is HMYMVWNUISAOLT-CFMSYZGJSA-N. The full InChI is InChI=1S/C14H20ClNO2S2/c1-10(14(17)16-11-5-3-2-4-6-11)20(18)9-12-7-8-13(15)19-12/h7-8,10-11H,2-6,9H2,1H3,(H,16,17)/t10-,20-/m1/s1.
What are the key properties of (2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide?
(2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide has a molecular weight of 333.91 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide is sourced from PubChem (CID 95599592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).