N-(2-methyl-2-methylsulfonylpropyl)adamantan-2-amine

C15H27NO2S — CID 79552069

IUPACN-(2-methyl-2-methylsulfonylpropyl)adamantan-2-amine
SMILESCC(C)(CNC1C2CC3CC(C2)CC1C3)S(C)(=O)=O
InChIInChI=1S/C15H27NO2S/c1-15(2,19(3,17)18)9-16-14-12-5-10-4-11(7-12)8-13(14)6-10/h10-14,16H,4-9H2,1-3H3
InChIKeyCXPZLDHAEXQMBL-UHFFFAOYSA-N
MW285.45 g/mol
LogP2.22
Rot. Bonds4

About N-(2-methyl-2-methylsulfonylpropyl)adamantan-2-amine

N-(2-methyl-2-methylsulfonylpropyl)adamantan-2-amine (PubChem CID 79552069) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)adamantan-2-amine
PubChem CID79552069
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)adamantan-2-amine
SMILESCC(C)(CNC1C2CC3CC(C2)CC1C3)S(C)(=O)=O
InChIInChI=1S/C15H27NO2S/c1-15(2,19(3,17)18)9-16-14-12-5-10-4-11(7-12)8-13(14)6-10/h10-14,16H,4-9H2,1-3H3
InChIKeyCXPZLDHAEXQMBL-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)adamantan-2-amine?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)adamantan-2-amine (CID 79552069) is N-(2-methyl-2-methylsulfonylpropyl)adamantan-2-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)adamantan-2-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)adamantan-2-amine is CC(C)(CNC1C2CC3CC(C2)CC1C3)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)adamantan-2-amine?
The InChIKey is CXPZLDHAEXQMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-15(2,19(3,17)18)9-16-14-12-5-10-4-11(7-12)8-13(14)6-10/h10-14,16H,4-9H2,1-3H3.
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)adamantan-2-amine?
N-(2-methyl-2-methylsulfonylpropyl)adamantan-2-amine has a molecular weight of 285.45 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)adamantan-2-amine is sourced from PubChem (CID 79552069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).