N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine

C15H31NO2S — CID 64659603

IUPACN-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1S(=O)CCCOC
InChIInChI=1S/C15H31NO2S/c1-5-16-14-8-7-13(12(2)3)11-15(14)19(17)10-6-9-18-4/h12-16H,5-11H2,1-4H3
InChIKeyCICSKUDMKGFALL-UHFFFAOYSA-N
MW289.49 g/mol
LogP2.57
Rot. Bonds8

About N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine

N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 64659603) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID64659603
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC NameN-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1S(=O)CCCOC
InChIInChI=1S/C15H31NO2S/c1-5-16-14-8-7-13(12(2)3)11-15(14)19(17)10-6-9-18-4/h12-16H,5-11H2,1-4H3
InChIKeyCICSKUDMKGFALL-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 52.57
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine (CID 64659603) is N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine is CCNC1CCC(C(C)C)CC1S(=O)CCCOC.
What is the InChIKey of N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is CICSKUDMKGFALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-5-16-14-8-7-13(12(2)3)11-15(14)19(17)10-6-9-18-4/h12-16H,5-11H2,1-4H3.
What are the key properties of N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 289.49 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64659603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).