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

C13H24N2OS — CID 107295988

IUPAC2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
SMILESNCC1CCCCC1C(=O)NCC1CCSC1
InChIInChI=1S/C13H24N2OS/c14-7-11-3-1-2-4-12(11)13(16)15-8-10-5-6-17-9-10/h10-12H,1-9,14H2,(H,15,16)
InChIKeyBCDBCGJPCGQFHY-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.62
Rot. Bonds4

About 2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide

2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 107295988) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID107295988
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
SMILESNCC1CCCCC1C(=O)NCC1CCSC1
InChIInChI=1S/C13H24N2OS/c14-7-11-3-1-2-4-12(11)13(16)15-8-10-5-6-17-9-10/h10-12H,1-9,14H2,(H,15,16)
InChIKeyBCDBCGJPCGQFHY-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

2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide
CID 107295904
2-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66004226
2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide
CID 103822247
4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107295920
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 79363022
(2S)-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
CID 107296038
1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 107296095
2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide
CID 107296090
3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296097
N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide
CID 107296276
1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107296158
2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 114097955

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide (CID 107295988) is 2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide is NCC1CCCCC1C(=O)NCC1CCSC1.
What is the InChIKey of 2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is BCDBCGJPCGQFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c14-7-11-3-1-2-4-12(11)13(16)15-8-10-5-6-17-9-10/h10-12H,1-9,14H2,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide?
2-(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 2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107295988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).