3-[2-(1-cyclopropylethylamino)ethylsulfanyl]propan-1-ol

C10H21NOS — CID 115676871

IUPAC3-[2-(1-cyclopropylethylamino)ethylsulfanyl]propan-1-ol
SMILESCC(NCCSCCCO)C1CC1
InChIInChI=1S/C10H21NOS/c1-9(10-3-4-10)11-5-8-13-7-2-6-12/h9-12H,2-8H2,1H3
InChIKeyZSUNZHMAWMEUKH-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.49
Rot. Bonds8

About 3-[2-(1-cyclopropylethylamino)ethylsulfanyl]propan-1-ol

3-[2-(1-cyclopropylethylamino)ethylsulfanyl]propan-1-ol (PubChem CID 115676871) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-[2-(1-cyclopropylethylamino)ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(1-cyclopropylethylamino)ethylsulfanyl]propan-1-ol
PubChem CID115676871
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-[2-(1-cyclopropylethylamino)ethylsulfanyl]propan-1-ol
SMILESCC(NCCSCCCO)C1CC1
InChIInChI=1S/C10H21NOS/c1-9(10-3-4-10)11-5-8-13-7-2-6-12/h9-12H,2-8H2,1H3
InChIKeyZSUNZHMAWMEUKH-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-cyclobutylethylamino)propan-1-ol
CID 115705210
1-cyclopropyl-N-(2-methylsulfanylethyl)ethanamine
CID 60696328
3-[2-(4-methylpentan-2-ylamino)ethylsulfanyl]propan-1-ol
CID 115717850
6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol
CID 107703530
5-[[(1R)-1-cyclopentylethyl]amino]pentan-1-ol
CID 81393980
5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol
CID 81393292
3-[2-(2-methylpentan-3-ylamino)ethylsulfanyl]propan-1-ol
CID 115717861
1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine
CID 107757275
4-[1-[2-(3-hydroxypropylsulfanyl)ethylamino]ethyl]phenol
CID 106309503
4-(1-cyclopropylethylamino)butan-2-ol
CID 64911110
1-cyclohexyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 115677247
(1S)-1-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine
CID 104863405

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-cyclopropylethylamino)ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-(1-cyclopropylethylamino)ethylsulfanyl]propan-1-ol (CID 115676871) is 3-[2-(1-cyclopropylethylamino)ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-(1-cyclopropylethylamino)ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-(1-cyclopropylethylamino)ethylsulfanyl]propan-1-ol is CC(NCCSCCCO)C1CC1.
What is the InChIKey of 3-[2-(1-cyclopropylethylamino)ethylsulfanyl]propan-1-ol?
The InChIKey is ZSUNZHMAWMEUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9(10-3-4-10)11-5-8-13-7-2-6-12/h9-12H,2-8H2,1H3.
What are the key properties of 3-[2-(1-cyclopropylethylamino)ethylsulfanyl]propan-1-ol?
3-[2-(1-cyclopropylethylamino)ethylsulfanyl]propan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-cyclopropylethylamino)ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 115676871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).