4-(2-ethylsulfanylethoxy)cyclohexan-1-amine

C10H21NOS — CID 102729302

IUPAC4-(2-ethylsulfanylethoxy)cyclohexan-1-amine
SMILESCCSCCOC1CCC(N)CC1
InChIInChI=1S/C10H21NOS/c1-2-13-8-7-12-10-5-3-9(11)4-6-10/h9-10H,2-8,11H2,1H3
InChIKeyQDBKZERRHDQRRY-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.03
Rot. Bonds5

About 4-(2-ethylsulfanylethoxy)cyclohexan-1-amine

4-(2-ethylsulfanylethoxy)cyclohexan-1-amine (PubChem CID 102729302) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 4-(2-ethylsulfanylethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-ethylsulfanylethoxy)cyclohexan-1-amine
PubChem CID102729302
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name4-(2-ethylsulfanylethoxy)cyclohexan-1-amine
SMILESCCSCCOC1CCC(N)CC1
InChIInChI=1S/C10H21NOS/c1-2-13-8-7-12-10-5-3-9(11)4-6-10/h9-10H,2-8,11H2,1H3
InChIKeyQDBKZERRHDQRRY-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.03
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

4-(2-propoxyethoxy)cyclohexan-1-amine
CID 63684379
4-(2-aminoethoxy)cyclohexan-1-amine
CID 64981454
4-(3,3-difluoropropoxy)cyclohexan-1-amine
CID 172566327
4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine
CID 65098075
3-(2-ethoxyethoxy)cyclopentan-1-amine
CID 79465467
4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine
CID 115741540
4-(3-methylsulfonylpropoxy)cyclohexan-1-amine
CID 63191393
4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine
CID 79677208
3-hexoxycyclopentan-1-amine
CID 79464533
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide
CID 63869286
1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
CID 63870768
2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol
CID 115771131

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfanylethoxy)cyclohexan-1-amine?
The IUPAC name of 4-(2-ethylsulfanylethoxy)cyclohexan-1-amine (CID 102729302) is 4-(2-ethylsulfanylethoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-ethylsulfanylethoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(2-ethylsulfanylethoxy)cyclohexan-1-amine is CCSCCOC1CCC(N)CC1.
What is the InChIKey of 4-(2-ethylsulfanylethoxy)cyclohexan-1-amine?
The InChIKey is QDBKZERRHDQRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-2-13-8-7-12-10-5-3-9(11)4-6-10/h9-10H,2-8,11H2,1H3.
What are the key properties of 4-(2-ethylsulfanylethoxy)cyclohexan-1-amine?
4-(2-ethylsulfanylethoxy)cyclohexan-1-amine has a molecular weight of 203.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfanylethoxy)cyclohexan-1-amine is sourced from PubChem (CID 102729302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).