2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine

C13H27NO2S — CID 79863016

IUPAC2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine
SMILESCCCNC1C(S(=O)(=O)CCC)CCC1(C)C
InChIInChI=1S/C13H27NO2S/c1-5-9-14-12-11(7-8-13(12,3)4)17(15,16)10-6-2/h11-12,14H,5-10H2,1-4H3
InChIKeyXBVPJNMGTRHVRD-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds6

About 2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine

2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine (PubChem CID 79863016) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine
PubChem CID79863016
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine
SMILESCCCNC1C(S(=O)(=O)CCC)CCC1(C)C
InChIInChI=1S/C13H27NO2S/c1-5-9-14-12-11(7-8-13(12,3)4)17(15,16)10-6-2/h11-12,14H,5-10H2,1-4H3
InChIKeyXBVPJNMGTRHVRD-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79863450
2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862407
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
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-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine
CID 79863242
N-propyl-2-propylsulfonylcyclooctan-1-amine
CID 64644715
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]-N-propylcyclopentan-1-amine
CID 79857297
N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64644910
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-N-propyl-5-propylsulfonylcyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine (CID 79863016) is 2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine is CCCNC1C(S(=O)(=O)CCC)CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine?
The InChIKey is XBVPJNMGTRHVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-5-9-14-12-11(7-8-13(12,3)4)17(15,16)10-6-2/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine?
2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 79863016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).