N-(3-fluoropropyl)-2-methylsulfonylcyclohexan-1-amine

C10H20FNO2S — CID 115901522

IUPACN-(3-fluoropropyl)-2-methylsulfonylcyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCCC1NCCCF
InChIInChI=1S/C10H20FNO2S/c1-15(13,14)10-6-3-2-5-9(10)12-8-4-7-11/h9-10,12H,2-8H2,1H3
InChIKeyVOJSDTZBUSKBQY-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.29
Rot. Bonds5

About N-(3-fluoropropyl)-2-methylsulfonylcyclohexan-1-amine

N-(3-fluoropropyl)-2-methylsulfonylcyclohexan-1-amine (PubChem CID 115901522) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is N-(3-fluoropropyl)-2-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-2-methylsulfonylcyclohexan-1-amine
PubChem CID115901522
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC NameN-(3-fluoropropyl)-2-methylsulfonylcyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCCC1NCCCF
InChIInChI=1S/C10H20FNO2S/c1-15(13,14)10-6-3-2-5-9(10)12-8-4-7-11/h9-10,12H,2-8H2,1H3
InChIKeyVOJSDTZBUSKBQY-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Cyclohexylazaniumyl)ethanesulfonate
CID 3852474
N-cyclohexyltetrahydrothiophen-3-amine 1,1-dioxide
CID 3152340
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CID 72716379
3-(Cyclohexylazaniumyl)propane-1-sulfonate
CID 12546061
2-(2-(Methylsulfonyl)ethyl)piperidine
CID 53485993
2-methanesulfonyl-N-methylcyclohexan-1-amine
CID 14615345
3-(Cyclohexylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 24279262
N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine
CID 75483309
(2R)-3-(cyclohexylamino)-2-fluoropropane-1-sulfonic acid
CID 11528835
(2S)-3-(cyclohexylamino)-2-fluoropropane-1-sulfonic acid
CID 58691868
3-(Cyclohexylamino)-2-fluoropropane-1-sulfonic acid
CID 58692051
4-(4,4-difluorocyclohexyl)sulfonyl-N-methylbutan-1-amine
CID 68001849

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-2-methylsulfonylcyclohexan-1-amine?
The IUPAC name of N-(3-fluoropropyl)-2-methylsulfonylcyclohexan-1-amine (CID 115901522) is N-(3-fluoropropyl)-2-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-(3-fluoropropyl)-2-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-(3-fluoropropyl)-2-methylsulfonylcyclohexan-1-amine is CS(=O)(=O)C1CCCCC1NCCCF.
What is the InChIKey of N-(3-fluoropropyl)-2-methylsulfonylcyclohexan-1-amine?
The InChIKey is VOJSDTZBUSKBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-15(13,14)10-6-3-2-5-9(10)12-8-4-7-11/h9-10,12H,2-8H2,1H3.
What are the key properties of N-(3-fluoropropyl)-2-methylsulfonylcyclohexan-1-amine?
N-(3-fluoropropyl)-2-methylsulfonylcyclohexan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-2-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 115901522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).