5-methylsulfonyl-N-propan-2-yladamantan-2-amine

C14H25NO2S — CID 135290915

IUPAC5-methylsulfonyl-N-propan-2-yladamantan-2-amine
SMILESCC(C)NC1C2CC3CC1CC(S(C)(=O)=O)(C3)C2
InChIInChI=1S/C14H25NO2S/c1-9(2)15-13-11-4-10-5-12(13)8-14(6-10,7-11)18(3,16)17/h9-13,15H,4-8H2,1-3H3
InChIKeyABPNPRMSZQMCSB-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.98
Rot. Bonds3

About 5-methylsulfonyl-N-propan-2-yladamantan-2-amine

5-methylsulfonyl-N-propan-2-yladamantan-2-amine (PubChem CID 135290915) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 5-methylsulfonyl-N-propan-2-yladamantan-2-amine.

Molecular Properties

Compound Name5-methylsulfonyl-N-propan-2-yladamantan-2-amine
PubChem CID135290915
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name5-methylsulfonyl-N-propan-2-yladamantan-2-amine
SMILESCC(C)NC1C2CC3CC1CC(S(C)(=O)=O)(C3)C2
InChIInChI=1S/C14H25NO2S/c1-9(2)15-13-11-4-10-5-12(13)8-14(6-10,7-11)18(3,16)17/h9-13,15H,4-8H2,1-3H3
InChIKeyABPNPRMSZQMCSB-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-N-propan-2-yladamantan-2-amine?
The IUPAC name of 5-methylsulfonyl-N-propan-2-yladamantan-2-amine (CID 135290915) is 5-methylsulfonyl-N-propan-2-yladamantan-2-amine.
What is the SMILES notation for 5-methylsulfonyl-N-propan-2-yladamantan-2-amine?
The canonical SMILES for 5-methylsulfonyl-N-propan-2-yladamantan-2-amine is CC(C)NC1C2CC3CC1CC(S(C)(=O)=O)(C3)C2.
What is the InChIKey of 5-methylsulfonyl-N-propan-2-yladamantan-2-amine?
The InChIKey is ABPNPRMSZQMCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-9(2)15-13-11-4-10-5-12(13)8-14(6-10,7-11)18(3,16)17/h9-13,15H,4-8H2,1-3H3.
What are the key properties of 5-methylsulfonyl-N-propan-2-yladamantan-2-amine?
5-methylsulfonyl-N-propan-2-yladamantan-2-amine has a molecular weight of 271.43 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-N-propan-2-yladamantan-2-amine is sourced from PubChem (CID 135290915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).