2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide

C12H24N2O2S — CID 114232022

IUPAC2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide
SMILESCCCNC1C(S(=O)CC(N)=O)CCC1(C)C
InChIInChI=1S/C12H24N2O2S/c1-4-7-14-11-9(5-6-12(11,2)3)17(16)8-10(13)15/h9,11,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeySJPGMXYWDZRVOU-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.78
Rot. Bonds6

About 2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide

2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide (PubChem CID 114232022) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide.

Molecular Properties

Compound Name2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide
PubChem CID114232022
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide
SMILESCCCNC1C(S(=O)CC(N)=O)CCC1(C)C
InChIInChI=1S/C12H24N2O2S/c1-4-7-14-11-9(5-6-12(11,2)3)17(16)8-10(13)15/h9,11,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeySJPGMXYWDZRVOU-UHFFFAOYSA-N
XLogP0.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine
CID 79863242
2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine
CID 107760677
5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79866348
5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79862922
N-ethyl-2,2-dimethyl-5-methylsulfinylcyclopentan-1-amine
CID 79862329
5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79866209
N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine
CID 107759913
2-[(2,2-dimethylcyclobutyl)amino]acetamide
CID 130554309
2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine
CID 79863016
5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863357
5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 114792164
2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol
CID 104554576

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide?
The IUPAC name of 2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide (CID 114232022) is 2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide.
What is the SMILES notation for 2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide?
The canonical SMILES for 2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide is CCCNC1C(S(=O)CC(N)=O)CCC1(C)C.
What is the InChIKey of 2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide?
The InChIKey is SJPGMXYWDZRVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-4-7-14-11-9(5-6-12(11,2)3)17(16)8-10(13)15/h9,11,14H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide?
2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide has a molecular weight of 260.40 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide is sourced from PubChem (CID 114232022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).