4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid

C14H27NO2S — CID 64711700

IUPAC4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)SC1CCCCC1)C(=O)O
InChIInChI=1S/C14H27NO2S/c1-4-15-14(3,13(16)17)10-11(2)18-12-8-6-5-7-9-12/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeySRLGPJVMKDVEDK-UHFFFAOYSA-N
MW273.44 g/mol
LogP3.28
Rot. Bonds7

About 4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid

4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid (PubChem CID 64711700) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid
PubChem CID64711700
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)SC1CCCCC1)C(=O)O
InChIInChI=1S/C14H27NO2S/c1-4-15-14(3,13(16)17)10-11(2)18-12-8-6-5-7-9-12/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeySRLGPJVMKDVEDK-UHFFFAOYSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64711886
2-amino-4-cyclohexylsulfanyl-2-methylpentanoic acid
CID 64712061
4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64710589
4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64728207
ethyl 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64705146
4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64806975
3-cyclopentylsulfanyl-2-(ethylamino)-2-methylpropanamide
CID 63115926
2-methyl-4-methylsulfanyl-2-(propylamino)pentanoic acid
CID 64712091
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64709347
4-cyclohexylsulfanylpentanoic acid
CID 62213265
2-(ethylamino)-4-methoxy-2-methylpentanoic acid
CID 64709074
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 79916085

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid?
The IUPAC name of 4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid (CID 64711700) is 4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid.
What is the SMILES notation for 4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid?
The canonical SMILES for 4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid is CCNC(C)(CC(C)SC1CCCCC1)C(=O)O.
What is the InChIKey of 4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid?
The InChIKey is SRLGPJVMKDVEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-4-15-14(3,13(16)17)10-11(2)18-12-8-6-5-7-9-12/h11-12,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid?
4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid has a molecular weight of 273.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid is sourced from PubChem (CID 64711700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).