2-propylsulfonylcyclohexan-1-amine

C9H19NO2S — CID 64645702

IUPAC2-propylsulfonylcyclohexan-1-amine
SMILESCCCS(=O)(=O)C1CCCCC1N
InChIInChI=1S/C9H19NO2S/c1-2-7-13(11,12)9-6-4-3-5-8(9)10/h8-9H,2-7,10H2,1H3
InChIKeyCFHSNURSOKBHJZ-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.08
Rot. Bonds3

About 2-propylsulfonylcyclohexan-1-amine

2-propylsulfonylcyclohexan-1-amine (PubChem CID 64645702) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-propylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound Name2-propylsulfonylcyclohexan-1-amine
PubChem CID64645702
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-propylsulfonylcyclohexan-1-amine
SMILESCCCS(=O)(=O)C1CCCCC1N
InChIInChI=1S/C9H19NO2S/c1-2-7-13(11,12)9-6-4-3-5-8(9)10/h8-9H,2-7,10H2,1H3
InChIKeyCFHSNURSOKBHJZ-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
(2-propylsulfonylcyclohexyl)methanamine
CID 64698833
2-(3-methoxypropylsulfonyl)cyclooctan-1-amine
CID 64673487
methyl 3-(2-aminocycloheptyl)sulfonylpropanoate
CID 64676542
2-(2-methylbutylsulfonyl)cyclooctan-1-amine
CID 107759605
N-methyl-2-propylsulfonylcyclooctan-1-amine
CID 64644517
2-propylsulfonylcyclohexane-1-carbonitrile
CID 64689764
2-methylsulfonylcyclohexan-1-amine;hydrochloride
CID 122199419
N-propyl-2-propylsulfonylcyclooctan-1-amine
CID 64644715
(2-pentylsulfonylcyclohexyl)methanamine
CID 107766733
N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide
CID 93452968
ethyl 2-(2-aminocyclopentyl)sulfonylacetate
CID 64676176

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonylcyclohexan-1-amine?
The IUPAC name of 2-propylsulfonylcyclohexan-1-amine (CID 64645702) is 2-propylsulfonylcyclohexan-1-amine.
What is the SMILES notation for 2-propylsulfonylcyclohexan-1-amine?
The canonical SMILES for 2-propylsulfonylcyclohexan-1-amine is CCCS(=O)(=O)C1CCCCC1N.
What is the InChIKey of 2-propylsulfonylcyclohexan-1-amine?
The InChIKey is CFHSNURSOKBHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-7-13(11,12)9-6-4-3-5-8(9)10/h8-9H,2-7,10H2,1H3.
What are the key properties of 2-propylsulfonylcyclohexan-1-amine?
2-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 2-propylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 64645702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).