2-[2-(cyclopentylamino)ethylsulfonyl]-N,N-dimethylacetamide

C11H22N2O3S — CID 114232592

IUPAC2-[2-(cyclopentylamino)ethylsulfonyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)(=O)CCNC1CCCC1
InChIInChI=1S/C11H22N2O3S/c1-13(2)11(14)9-17(15,16)8-7-12-10-5-3-4-6-10/h10,12H,3-9H2,1-2H3
InChIKeySXJNLMWBYYEQSG-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.02
Rot. Bonds6

About 2-[2-(cyclopentylamino)ethylsulfonyl]-N,N-dimethylacetamide

2-[2-(cyclopentylamino)ethylsulfonyl]-N,N-dimethylacetamide (PubChem CID 114232592) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-[2-(cyclopentylamino)ethylsulfonyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(cyclopentylamino)ethylsulfonyl]-N,N-dimethylacetamide
PubChem CID114232592
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-[2-(cyclopentylamino)ethylsulfonyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)(=O)CCNC1CCCC1
InChIInChI=1S/C11H22N2O3S/c1-13(2)11(14)9-17(15,16)8-7-12-10-5-3-4-6-10/h10,12H,3-9H2,1-2H3
InChIKeySXJNLMWBYYEQSG-UHFFFAOYSA-N
XLogP0.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylamino)ethylsulfonyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(cyclopentylamino)ethylsulfonyl]-N,N-dimethylacetamide (CID 114232592) is 2-[2-(cyclopentylamino)ethylsulfonyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(cyclopentylamino)ethylsulfonyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(cyclopentylamino)ethylsulfonyl]-N,N-dimethylacetamide is CN(C)C(=O)CS(=O)(=O)CCNC1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylamino)ethylsulfonyl]-N,N-dimethylacetamide?
The InChIKey is SXJNLMWBYYEQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-13(2)11(14)9-17(15,16)8-7-12-10-5-3-4-6-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-[2-(cyclopentylamino)ethylsulfonyl]-N,N-dimethylacetamide?
2-[2-(cyclopentylamino)ethylsulfonyl]-N,N-dimethylacetamide has a molecular weight of 262.37 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylamino)ethylsulfonyl]-N,N-dimethylacetamide is sourced from PubChem (CID 114232592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).