2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide

C13H24N2O3S — CID 104677414

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESNCC1(CC(=O)NC2CCS(=O)(=O)C2)CCCCC1
InChIInChI=1S/C13H24N2O3S/c14-10-13(5-2-1-3-6-13)8-12(16)15-11-4-7-19(17,18)9-11/h11H,1-10,14H2,(H,15,16)
InChIKeyRYJADUYSYJRZFI-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.59
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 104677414) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID104677414
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESNCC1(CC(=O)NC2CCS(=O)(=O)C2)CCCCC1
InChIInChI=1S/C13H24N2O3S/c14-10-13(5-2-1-3-6-13)8-12(16)15-11-4-7-19(17,18)9-11/h11H,1-10,14H2,(H,15,16)
InChIKeyRYJADUYSYJRZFI-UHFFFAOYSA-N
XLogP0.59
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-(1,1-dioxothian-3-yl)acetamide
CID 81168499
2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide
CID 104677352
N-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240476
N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678121
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 104677721
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
CID 104678068
2-[1-[2-[(1,1-dioxothian-4-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071310
3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride
CID 42943455
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide
CID 104677930
2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide
CID 79851189
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 104677414) is 2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide is NCC1(CC(=O)NC2CCS(=O)(=O)C2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is RYJADUYSYJRZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c14-10-13(5-2-1-3-6-13)8-12(16)15-11-4-7-19(17,18)9-11/h11H,1-10,14H2,(H,15,16).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 288.41 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 104677414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).