2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine

C11H22ClNO2S — CID 65096824

IUPAC2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine
SMILESCCS(=O)(=O)CCCNC1CCCCC1Cl
InChIInChI=1S/C11H22ClNO2S/c1-2-16(14,15)9-5-8-13-11-7-4-3-6-10(11)12/h10-11,13H,2-9H2,1H3
InChIKeyOTIDXQIWAIQWGE-UHFFFAOYSA-N
MW267.82 g/mol
LogP1.95
Rot. Bonds6

About 2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine

2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine (PubChem CID 65096824) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is 2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine
PubChem CID65096824
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC Name2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine
SMILESCCS(=O)(=O)CCCNC1CCCCC1Cl
InChIInChI=1S/C11H22ClNO2S/c1-2-16(14,15)9-5-8-13-11-7-4-3-6-10(11)12/h10-11,13H,2-9H2,1H3
InChIKeyOTIDXQIWAIQWGE-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine (CID 65096824) is 2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine is CCS(=O)(=O)CCCNC1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine?
The InChIKey is OTIDXQIWAIQWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-2-16(14,15)9-5-8-13-11-7-4-3-6-10(11)12/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine?
2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine has a molecular weight of 267.82 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 65096824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).