5-(2-methylsulfonylethoxy)adamantan-2-amine

C13H23NO3S — CID 68518242

IUPAC5-(2-methylsulfonylethoxy)adamantan-2-amine
SMILESCS(=O)(=O)CCOC12CC3CC(C1)C(N)C(C3)C2
InChIInChI=1S/C13H23NO3S/c1-18(15,16)3-2-17-13-6-9-4-10(7-13)12(14)11(5-9)8-13/h9-12H,2-8,14H2,1H3
InChIKeySQRRQMMQZANGBC-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.95
Rot. Bonds4

About 5-(2-methylsulfonylethoxy)adamantan-2-amine

5-(2-methylsulfonylethoxy)adamantan-2-amine (PubChem CID 68518242) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-(2-methylsulfonylethoxy)adamantan-2-amine.

Molecular Properties

Compound Name5-(2-methylsulfonylethoxy)adamantan-2-amine
PubChem CID68518242
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name5-(2-methylsulfonylethoxy)adamantan-2-amine
SMILESCS(=O)(=O)CCOC12CC3CC(C1)C(N)C(C3)C2
InChIInChI=1S/C13H23NO3S/c1-18(15,16)3-2-17-13-6-9-4-10(7-13)12(14)11(5-9)8-13/h9-12H,2-8,14H2,1H3
InChIKeySQRRQMMQZANGBC-UHFFFAOYSA-N
XLogP0.95
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxyadamantan-2-amine
CID 59574132
(1S,3S)-5-methoxyadamantan-2-amine
CID 99645706
[(3S,5S)-4-amino-1-adamantyl] acetate
CID 124670212
2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 90013927
2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 90013877
4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane
CID 134203157
1-ethoxy-4-methyladamantane
CID 141189891
4-(1-adamantyloxy)butyl acetate
CID 134839652
(5-propoxy-2-adamantyl) N-[(E)-4-aminobut-2-enyl]carbamate
CID 156899541
4-amino-N-methoxyadamantane-1-carboxamide
CID 88539562
1-(2-bromoethoxy)adamantane
CID 2379498
2-(1-adamantyloxy)ethyl-methylazanium
CID 7321805

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfonylethoxy)adamantan-2-amine?
The IUPAC name of 5-(2-methylsulfonylethoxy)adamantan-2-amine (CID 68518242) is 5-(2-methylsulfonylethoxy)adamantan-2-amine.
What is the SMILES notation for 5-(2-methylsulfonylethoxy)adamantan-2-amine?
The canonical SMILES for 5-(2-methylsulfonylethoxy)adamantan-2-amine is CS(=O)(=O)CCOC12CC3CC(C1)C(N)C(C3)C2.
What is the InChIKey of 5-(2-methylsulfonylethoxy)adamantan-2-amine?
The InChIKey is SQRRQMMQZANGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c1-18(15,16)3-2-17-13-6-9-4-10(7-13)12(14)11(5-9)8-13/h9-12H,2-8,14H2,1H3.
What are the key properties of 5-(2-methylsulfonylethoxy)adamantan-2-amine?
5-(2-methylsulfonylethoxy)adamantan-2-amine has a molecular weight of 273.40 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonylethoxy)adamantan-2-amine is sourced from PubChem (CID 68518242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).