N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine

C10H21NO2S — CID 79863335

IUPACN-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
SMILESCCNC1C(S(C)(=O)=O)CCC1(C)C
InChIInChI=1S/C10H21NO2S/c1-5-11-9-8(14(4,12)13)6-7-10(9,2)3/h8-9,11H,5-7H2,1-4H3
InChIKeyGMPRFKDRAVXWTC-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds3

About N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine

N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine (PubChem CID 79863335) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
PubChem CID79863335
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
SMILESCCNC1C(S(C)(=O)=O)CCC1(C)C
InChIInChI=1S/C10H21NO2S/c1-5-11-9-8(14(4,12)13)6-7-10(9,2)3/h8-9,11H,5-7H2,1-4H3
InChIKeyGMPRFKDRAVXWTC-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862407
2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine
CID 79863016
2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
CID 79863440
2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862414
5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79863450
N-ethyl-2,2-dimethyl-5-methylsulfinylcyclopentan-1-amine
CID 79862329
6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79847566
2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862706
6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79847934
5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863357
1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
CID 79859850
5-butan-2-ylsulfanyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863499

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine (CID 79863335) is N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine is CCNC1C(S(C)(=O)=O)CCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine?
The InChIKey is GMPRFKDRAVXWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-11-9-8(14(4,12)13)6-7-10(9,2)3/h8-9,11H,5-7H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine?
N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 79863335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).