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

C13H27NO4S2 — CID 79862407

IUPAC2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1C(S(=O)(=O)CCS(C)(=O)=O)CCC1(C)C
InChIInChI=1S/C13H27NO4S2/c1-5-8-14-12-11(6-7-13(12,2)3)20(17,18)10-9-19(4,15)16/h11-12,14H,5-10H2,1-4H3
InChIKeyDDGUMQHKHYXFLU-UHFFFAOYSA-N
MW325.50 g/mol
LogP1.00
Rot. Bonds7

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

2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine (PubChem CID 79862407) has the molecular formula C13H27NO4S2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine
PubChem CID79862407
Molecular FormulaC13H27NO4S2
Molecular Weight325.50 g/mol
Exact Mass325.14
IUPAC Name2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1C(S(=O)(=O)CCS(C)(=O)=O)CCC1(C)C
InChIInChI=1S/C13H27NO4S2/c1-5-8-14-12-11(6-7-13(12,2)3)20(17,18)10-9-19(4,15)16/h11-12,14H,5-10H2,1-4H3
InChIKeyDDGUMQHKHYXFLU-UHFFFAOYSA-N
XLogP1.00
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine
CID 79863016
5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79863450
2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862706
2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862414
2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine
CID 79863242
6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79847934
N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
CID 79863335
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]-N-propylcyclopentan-1-amine
CID 79857297
4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611268
3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine
CID 116539636
1-N-[2-(dimethylamino)ethyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine
CID 79860080
5-cyclobutyloxy-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79856523

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine (CID 79862407) is 2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine is CCCNC1C(S(=O)(=O)CCS(C)(=O)=O)CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine?
The InChIKey is DDGUMQHKHYXFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4S2/c1-5-8-14-12-11(6-7-13(12,2)3)20(17,18)10-9-19(4,15)16/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine?
2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine has a molecular weight of 325.50 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79862407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).