1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide

C13H24N2OS — CID 107296158

IUPAC1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCC2CCSC2)CCCCC1
InChIInChI=1S/C13H24N2OS/c14-10-13(5-2-1-3-6-13)12(16)15-8-11-4-7-17-9-11/h11H,1-10,14H2,(H,15,16)
InChIKeyMRRSFTWKPGBQED-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.76
Rot. Bonds4

About 1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 107296158) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID107296158
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCC2CCSC2)CCCCC1
InChIInChI=1S/C13H24N2OS/c14-10-13(5-2-1-3-6-13)12(16)15-8-11-4-7-17-9-11/h11H,1-10,14H2,(H,15,16)
InChIKeyMRRSFTWKPGBQED-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
CID 106428100
1-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
CID 114187609
N-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide
CID 83278374
2-[1-(aminomethyl)cyclohexyl]-N-(3-methylsulfanylpropyl)acetamide
CID 59780090
2-[1-(aminomethyl)cyclohexyl]-N-(2-methylsulfanylethyl)acetamide
CID 59780098
2-[1-(aminomethyl)cyclohexyl]-N-[3-(3-methylhexan-3-ylsulfanyl)propyl]acetamide
CID 71070383
2-[1-(aminomethyl)cyclohexyl]-N-[2-[(2R)-butan-2-yl]sulfanylethyl]acetamide
CID 71070455
2-[1-(aminomethyl)cyclohexyl]-N-(3-tert-butylsulfanylpropyl)acetamide
CID 71071928
2-[1-(aminomethyl)cyclohexyl]-N-[2-(2-methylbutan-2-ylsulfanyl)ethyl]acetamide
CID 71071929
2-[1-(aminomethyl)cyclohexyl]-N-[2-[2-(methylamino)-2-oxoethyl]sulfanylethyl]acetamide
CID 71071932
2-[1-(aminomethyl)cyclohexyl]-N-(2-butan-2-ylsulfanylethyl)acetamide
CID 78001154
2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-cyclotetradecyl-2-oxopropyl)sulfanylethyl]acetamide
CID 90392294

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide (CID 107296158) is 1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide is NCC1(C(=O)NCC2CCSC2)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is MRRSFTWKPGBQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c14-10-13(5-2-1-3-6-13)12(16)15-8-11-4-7-17-9-11/h11H,1-10,14H2,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 256.41 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107296158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).