2-(1-aminocyclohexyl)-N-(1-methylsulfonylpropan-2-yl)acetamide

C12H24N2O3S — CID 64678133

IUPAC2-(1-aminocyclohexyl)-N-(1-methylsulfonylpropan-2-yl)acetamide
SMILESCC(CS(C)(=O)=O)NC(=O)CC1(N)CCCCC1
InChIInChI=1S/C12H24N2O3S/c1-10(9-18(2,16)17)14-11(15)8-12(13)6-4-3-5-7-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyPGYBPHZCGRTICH-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.59
Rot. Bonds5

About 2-(1-aminocyclohexyl)-N-(1-methylsulfonylpropan-2-yl)acetamide

2-(1-aminocyclohexyl)-N-(1-methylsulfonylpropan-2-yl)acetamide (PubChem CID 64678133) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(1-methylsulfonylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(1-methylsulfonylpropan-2-yl)acetamide
PubChem CID64678133
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-(1-aminocyclohexyl)-N-(1-methylsulfonylpropan-2-yl)acetamide
SMILESCC(CS(C)(=O)=O)NC(=O)CC1(N)CCCCC1
InChIInChI=1S/C12H24N2O3S/c1-10(9-18(2,16)17)14-11(15)8-12(13)6-4-3-5-7-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyPGYBPHZCGRTICH-UHFFFAOYSA-N
XLogP0.59
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(1-methylsulfonylpropan-2-yl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(1-methylsulfonylpropan-2-yl)acetamide (CID 64678133) is 2-(1-aminocyclohexyl)-N-(1-methylsulfonylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(1-methylsulfonylpropan-2-yl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(1-methylsulfonylpropan-2-yl)acetamide is CC(CS(C)(=O)=O)NC(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(1-methylsulfonylpropan-2-yl)acetamide?
The InChIKey is PGYBPHZCGRTICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10(9-18(2,16)17)14-11(15)8-12(13)6-4-3-5-7-12/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(1-aminocyclohexyl)-N-(1-methylsulfonylpropan-2-yl)acetamide?
2-(1-aminocyclohexyl)-N-(1-methylsulfonylpropan-2-yl)acetamide has a molecular weight of 276.40 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(1-methylsulfonylpropan-2-yl)acetamide is sourced from PubChem (CID 64678133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).