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

C13H24N2OS — CID 107295920

IUPAC4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCC2CCSC2)CC1
InChIInChI=1S/C13H24N2OS/c14-7-10-1-3-12(4-2-10)13(16)15-8-11-5-6-17-9-11/h10-12H,1-9,14H2,(H,15,16)
InChIKeyYYQDXRKKUHZHLZ-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.62
Rot. Bonds4

About 4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 107295920) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID107295920
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCC2CCSC2)CC1
InChIInChI=1S/C13H24N2OS/c14-7-10-1-3-12(4-2-10)13(16)15-8-11-5-6-17-9-11/h10-12H,1-9,14H2,(H,15,16)
InChIKeyYYQDXRKKUHZHLZ-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107295988
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
N-[(4-hydroxycyclohexyl)methyl]thiolane-3-carboxamide
CID 106123732
2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide
CID 107295904
2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide
CID 107295958
1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 107296095
2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide
CID 107296090
4-(aminomethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 165437684
4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
CID 79527493
4-hydroxy-N-(thiolan-3-ylmethyl)butanamide
CID 107298400
2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide
CID 107296139

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide (CID 107295920) is 4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide is NCC1CCC(C(=O)NCC2CCSC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is YYQDXRKKUHZHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c14-7-10-1-3-12(4-2-10)13(16)15-8-11-5-6-17-9-11/h10-12H,1-9,14H2,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 256.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107295920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).