4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid

C18H32N2O2S — CID 122031288

IUPAC4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC2(N3CCSCC3)CCCCC2)CC1
InChIInChI=1S/C18H32N2O2S/c21-17(22)15-4-6-16(7-5-15)19-14-18(8-2-1-3-9-18)20-10-12-23-13-11-20/h15-16,19H,1-14H2,(H,21,22)
InChIKeyCJNLVFXJXUDZKV-UHFFFAOYSA-N
MW340.53 g/mol
LogP2.97
Rot. Bonds5

About 4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid

4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 122031288) has the molecular formula C18H32N2O2S and a molecular weight of 340.53 g/mol. Its IUPAC name is 4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID122031288
Molecular FormulaC18H32N2O2S
Molecular Weight340.53 g/mol
Exact Mass340.22
IUPAC Name4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC2(N3CCSCC3)CCCCC2)CC1
InChIInChI=1S/C18H32N2O2S/c21-17(22)15-4-6-16(7-5-15)19-14-18(8-2-1-3-9-18)20-10-12-23-13-11-20/h15-16,19H,1-14H2,(H,21,22)
InChIKeyCJNLVFXJXUDZKV-UHFFFAOYSA-N
XLogP2.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 112753652
N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119887107
N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119887041
[1-methyl-5-[(1-piperidin-1-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45160967
1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
CID 71985715
2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide
CID 120704509
(1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 99807217
4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide
CID 120941832
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide
CID 36559680
4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120941831
(2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide
CID 119887110
5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide
CID 119041699

Frequently Asked Questions

What is the IUPAC name of 4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid (CID 122031288) is 4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCC2(N3CCSCC3)CCCCC2)CC1.
What is the InChIKey of 4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is CJNLVFXJXUDZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2S/c21-17(22)15-4-6-16(7-5-15)19-14-18(8-2-1-3-9-18)20-10-12-23-13-11-20/h15-16,19H,1-14H2,(H,21,22).
What are the key properties of 4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid?
4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 340.53 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122031288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).