2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide

C13H24N2OS — CID 80584404

IUPAC2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide
SMILESNC1(CC(=O)NCC2CCCS2)CCCCC1
InChIInChI=1S/C13H24N2OS/c14-13(6-2-1-3-7-13)9-12(16)15-10-11-5-4-8-17-11/h11H,1-10,14H2,(H,15,16)
InChIKeyDTTWNGIXYZTMSY-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.05
Rot. Bonds4

About 2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide

2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 80584404) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide
PubChem CID80584404
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide
SMILESNC1(CC(=O)NCC2CCCS2)CCCCC1
InChIInChI=1S/C13H24N2OS/c14-13(6-2-1-3-7-13)9-12(16)15-10-11-5-4-8-17-11/h11H,1-10,14H2,(H,15,16)
InChIKeyDTTWNGIXYZTMSY-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-aminocyclopentyl)-N-(cyclopropylmethyl)acetamide
CID 64685708
2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide
CID 113487601
2-amino-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]acetamide
CID 80584787
2-(methylamino)-N-(thiolan-2-ylmethyl)acetamide
CID 80584517
2-(1-aminocyclohexyl)-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65122600
3-oxo-3-(thian-2-ylmethylamino)propanoic acid
CID 80612290
2-(1-aminocyclohexyl)-N-(2-cyclohexylethyl)acetamide
CID 64683670
2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide
CID 80584421
2-(1-aminocyclohexyl)-N-(2-amino-2-oxoethyl)acetamide
CID 64684917
2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 79854939
2-(1-aminocyclopentyl)-N-[(3-methylcyclohexyl)methyl]acetamide
CID 114130650
4-oxo-4-(thian-2-ylmethylamino)butanoic acid
CID 80596063

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide (CID 80584404) is 2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide is NC1(CC(=O)NCC2CCCS2)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is DTTWNGIXYZTMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c14-13(6-2-1-3-7-13)9-12(16)15-10-11-5-4-8-17-11/h11H,1-10,14H2,(H,15,16).
What are the key properties of 2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide?
2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 256.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 80584404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).