2-[3-(ethylamino)cyclopentyl]sulfonyl-N-propylacetamide

C12H24N2O3S — CID 114232681

IUPAC2-[3-(ethylamino)cyclopentyl]sulfonyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)C1CCC(NCC)C1
InChIInChI=1S/C12H24N2O3S/c1-3-7-14-12(15)9-18(16,17)11-6-5-10(8-11)13-4-2/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyXMRGIBMEJSSYCI-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.46
Rot. Bonds7

About 2-[3-(ethylamino)cyclopentyl]sulfonyl-N-propylacetamide

2-[3-(ethylamino)cyclopentyl]sulfonyl-N-propylacetamide (PubChem CID 114232681) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[3-(ethylamino)cyclopentyl]sulfonyl-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(ethylamino)cyclopentyl]sulfonyl-N-propylacetamide
PubChem CID114232681
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-[3-(ethylamino)cyclopentyl]sulfonyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)C1CCC(NCC)C1
InChIInChI=1S/C12H24N2O3S/c1-3-7-14-12(15)9-18(16,17)11-6-5-10(8-11)13-4-2/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyXMRGIBMEJSSYCI-UHFFFAOYSA-N
XLogP0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-3-propylsulfonylcyclopentan-1-amine
CID 64723445
N-(2-aminoethyl)-2-cyclopropylsulfonylacetamide
CID 84674340
N-propyl-2-propylsulfonylacetamide
CID 86989509
1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea
CID 79123170
N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine
CID 64715674
3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine
CID 64722834
3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine
CID 64717141
N-[(1S,3S)-3-(ethylamino)cyclopentyl]methanesulfonamide
CID 121358992
2-[(4-propan-2-ylcyclohexyl)amino]-N-propylacetamide
CID 62703314
N-cyclopropyl-2-(propylcarbamoylamino)acetamide
CID 84514772
3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine
CID 64724868
3-[(3-cyclopropylcyclohexyl)amino]-N-propylpropanamide
CID 64623786

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)cyclopentyl]sulfonyl-N-propylacetamide?
The IUPAC name of 2-[3-(ethylamino)cyclopentyl]sulfonyl-N-propylacetamide (CID 114232681) is 2-[3-(ethylamino)cyclopentyl]sulfonyl-N-propylacetamide.
What is the SMILES notation for 2-[3-(ethylamino)cyclopentyl]sulfonyl-N-propylacetamide?
The canonical SMILES for 2-[3-(ethylamino)cyclopentyl]sulfonyl-N-propylacetamide is CCCNC(=O)CS(=O)(=O)C1CCC(NCC)C1.
What is the InChIKey of 2-[3-(ethylamino)cyclopentyl]sulfonyl-N-propylacetamide?
The InChIKey is XMRGIBMEJSSYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-3-7-14-12(15)9-18(16,17)11-6-5-10(8-11)13-4-2/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[3-(ethylamino)cyclopentyl]sulfonyl-N-propylacetamide?
2-[3-(ethylamino)cyclopentyl]sulfonyl-N-propylacetamide has a molecular weight of 276.40 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)cyclopentyl]sulfonyl-N-propylacetamide is sourced from PubChem (CID 114232681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).