3-propylsulfonylcyclohexan-1-amine

C9H19NO2S — CID 64715677

IUPAC3-propylsulfonylcyclohexan-1-amine
SMILESCCCS(=O)(=O)C1CCCC(N)C1
InChIInChI=1S/C9H19NO2S/c1-2-6-13(11,12)9-5-3-4-8(10)7-9/h8-9H,2-7,10H2,1H3
InChIKeyNJZLKXQXIPNBQY-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.08
Rot. Bonds3

About 3-propylsulfonylcyclohexan-1-amine

3-propylsulfonylcyclohexan-1-amine (PubChem CID 64715677) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-propylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound Name3-propylsulfonylcyclohexan-1-amine
PubChem CID64715677
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-propylsulfonylcyclohexan-1-amine
SMILESCCCS(=O)(=O)C1CCCC(N)C1
InChIInChI=1S/C9H19NO2S/c1-2-6-13(11,12)9-5-3-4-8(10)7-9/h8-9H,2-7,10H2,1H3
InChIKeyNJZLKXQXIPNBQY-UHFFFAOYSA-N
XLogP1.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propylsulfonylcyclopentan-1-amine
CID 64646493
N-propyl-3-propylsulfonylcyclopentan-1-amine
CID 64723445
2-propylsulfonylcyclohexan-1-amine
CID 64645702
3-propylsulfonylazetidine
CID 68955832
1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine
CID 79459348
1-(3-aminocyclohexyl)propane-1-sulfonic acid
CID 22073446
1-ethylsulfonyl-3-fluorocyclohexane
CID 66796442
3-(cyclopentylmethylsulfonyl)-N-propylcyclohexan-1-amine
CID 64717141
3,5-dimethyl-2-propylsulfonylcyclohexan-1-amine
CID 64753261
3-(4-propylsulfonylphenoxy)cyclohexan-1-amine
CID 79465015
1-N-propylcyclohexane-1,3-diamine
CID 22026573
heptylsulfonylcyclooctane
CID 134525047

Frequently Asked Questions

What is the IUPAC name of 3-propylsulfonylcyclohexan-1-amine?
The IUPAC name of 3-propylsulfonylcyclohexan-1-amine (CID 64715677) is 3-propylsulfonylcyclohexan-1-amine.
What is the SMILES notation for 3-propylsulfonylcyclohexan-1-amine?
The canonical SMILES for 3-propylsulfonylcyclohexan-1-amine is CCCS(=O)(=O)C1CCCC(N)C1.
What is the InChIKey of 3-propylsulfonylcyclohexan-1-amine?
The InChIKey is NJZLKXQXIPNBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-6-13(11,12)9-5-3-4-8(10)7-9/h8-9H,2-7,10H2,1H3.
What are the key properties of 3-propylsulfonylcyclohexan-1-amine?
3-propylsulfonylcyclohexan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 64715677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).