N-methyl-2-propylsulfonylcyclooctan-1-amine

C12H25NO2S — CID 64644517

IUPACN-methyl-2-propylsulfonylcyclooctan-1-amine
SMILESCCCS(=O)(=O)C1CCCCCCC1NC
InChIInChI=1S/C12H25NO2S/c1-3-10-16(14,15)12-9-7-5-4-6-8-11(12)13-2/h11-13H,3-10H2,1-2H3
InChIKeyLWAITPUJFOEPRN-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.12
Rot. Bonds4

About N-methyl-2-propylsulfonylcyclooctan-1-amine

N-methyl-2-propylsulfonylcyclooctan-1-amine (PubChem CID 64644517) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-methyl-2-propylsulfonylcyclooctan-1-amine.

Molecular Properties

Compound NameN-methyl-2-propylsulfonylcyclooctan-1-amine
PubChem CID64644517
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-methyl-2-propylsulfonylcyclooctan-1-amine
SMILESCCCS(=O)(=O)C1CCCCCCC1NC
InChIInChI=1S/C12H25NO2S/c1-3-10-16(14,15)12-9-7-5-4-6-8-11(12)13-2/h11-13H,3-10H2,1-2H3
InChIKeyLWAITPUJFOEPRN-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propylsulfonylcyclooctan-1-amine?
The IUPAC name of N-methyl-2-propylsulfonylcyclooctan-1-amine (CID 64644517) is N-methyl-2-propylsulfonylcyclooctan-1-amine.
What is the SMILES notation for N-methyl-2-propylsulfonylcyclooctan-1-amine?
The canonical SMILES for N-methyl-2-propylsulfonylcyclooctan-1-amine is CCCS(=O)(=O)C1CCCCCCC1NC.
What is the InChIKey of N-methyl-2-propylsulfonylcyclooctan-1-amine?
The InChIKey is LWAITPUJFOEPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-10-16(14,15)12-9-7-5-4-6-8-11(12)13-2/h11-13H,3-10H2,1-2H3.
What are the key properties of N-methyl-2-propylsulfonylcyclooctan-1-amine?
N-methyl-2-propylsulfonylcyclooctan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propylsulfonylcyclooctan-1-amine is sourced from PubChem (CID 64644517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).