2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine

C13H27NO3S2 — CID 79863242

IUPAC2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1C(S(=O)CCS(C)(=O)=O)CCC1(C)C
InChIInChI=1S/C13H27NO3S2/c1-5-8-14-12-11(6-7-13(12,2)3)18(15)9-10-19(4,16)17/h11-12,14H,5-10H2,1-4H3
InChIKeyOJGRORPSBVDJOD-UHFFFAOYSA-N
MW309.50 g/mol
LogP1.34
Rot. Bonds7

About 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine

2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine (PubChem CID 79863242) has the molecular formula C13H27NO3S2 and a molecular weight of 309.50 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine
PubChem CID79863242
Molecular FormulaC13H27NO3S2
Molecular Weight309.50 g/mol
Exact Mass309.14
IUPAC Name2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1C(S(=O)CCS(C)(=O)=O)CCC1(C)C
InChIInChI=1S/C13H27NO3S2/c1-5-8-14-12-11(6-7-13(12,2)3)18(15)9-10-19(4,16)17/h11-12,14H,5-10H2,1-4H3
InChIKeyOJGRORPSBVDJOD-UHFFFAOYSA-N
XLogP1.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide
CID 114232022
2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862407
2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine
CID 107760677
2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine
CID 79863016
5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79863450
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
2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862414
N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine
CID 107759913
2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862706

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine (CID 79863242) is 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine is CCCNC1C(S(=O)CCS(C)(=O)=O)CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine?
The InChIKey is OJGRORPSBVDJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S2/c1-5-8-14-12-11(6-7-13(12,2)3)18(15)9-10-19(4,16)17/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine?
2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine has a molecular weight of 309.50 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79863242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).