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

C14H29NO2S — CID 79862706

IUPAC2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1C(S(=O)(=O)CC(C)C)CCC1(C)C
InChIInChI=1S/C14H29NO2S/c1-6-9-15-13-12(7-8-14(13,4)5)18(16,17)10-11(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyVUDZIAAJQPCAER-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.61
Rot. Bonds6

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

2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine (PubChem CID 79862706) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine
PubChem CID79862706
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1C(S(=O)(=O)CC(C)C)CCC1(C)C
InChIInChI=1S/C14H29NO2S/c1-6-9-15-13-12(7-8-14(13,4)5)18(16,17)10-11(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyVUDZIAAJQPCAER-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862407
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-[4-(2-methylpropyl)piperazin-1-yl]-N-propylcyclopentan-1-amine
CID 79865531
N-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine
CID 64646429
1-N-cyclopropyl-3,3-dimethyl-1-N-(2-methylpropyl)-2-N-propylcyclopentane-1,2-diamine
CID 79860298
1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine
CID 79859524
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]-N-propylcyclopentan-1-amine
CID 79857297
2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine
CID 79863242

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine (CID 79862706) is 2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine is CCCNC1C(S(=O)(=O)CC(C)C)CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine?
The InChIKey is VUDZIAAJQPCAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-6-9-15-13-12(7-8-14(13,4)5)18(16,17)10-11(2)3/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine?
2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79862706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).