2-[cyclopropyl(thian-4-yl)amino]ethanol

C10H19NOS — CID 121203663

IUPAC2-[cyclopropyl(thian-4-yl)amino]ethanol
SMILESOCCN(C1CCSCC1)C1CC1
InChIInChI=1S/C10H19NOS/c12-6-5-11(9-1-2-9)10-3-7-13-8-4-10/h9-10,12H,1-8H2
InChIKeyMACYAFHWAGCECD-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.34
Rot. Bonds4

About 2-[cyclopropyl(thian-4-yl)amino]ethanol

2-[cyclopropyl(thian-4-yl)amino]ethanol (PubChem CID 121203663) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 2-[cyclopropyl(thian-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(thian-4-yl)amino]ethanol
PubChem CID121203663
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name2-[cyclopropyl(thian-4-yl)amino]ethanol
SMILESOCCN(C1CCSCC1)C1CC1
InChIInChI=1S/C10H19NOS/c12-6-5-11(9-1-2-9)10-3-7-13-8-4-10/h9-10,12H,1-8H2
InChIKeyMACYAFHWAGCECD-UHFFFAOYSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-aminocyclohexyl)-cyclopropylamino]ethanol
CID 79467685
3-(dicyclopropylamino)propan-1-ol
CID 146482071
2-hydroxyethyl(thian-4-yl)sulfamic acid
CID 67467246
2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol
CID 102875894
2-[azetidin-3-yl(cyclobutyl)amino]ethanol
CID 102875396
2-[ethyl(thiolan-3-yl)amino]ethanol
CID 121203695
3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one
CID 79617866
2-[cyclobutyl-(3-methylcyclohexyl)amino]ethanol
CID 102870175
2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol
CID 96555182
2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 102870203
disodium;N-(2-hydroxyethyl)-N-(thian-4-yl)sulfamate;pyrrolidine-1-sulfonate
CID 140607697
2-[cyclopropyl(methyl)amino]ethanol;hydrochloride
CID 69009010

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thian-4-yl)amino]ethanol?
The IUPAC name of 2-[cyclopropyl(thian-4-yl)amino]ethanol (CID 121203663) is 2-[cyclopropyl(thian-4-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl(thian-4-yl)amino]ethanol?
The canonical SMILES for 2-[cyclopropyl(thian-4-yl)amino]ethanol is OCCN(C1CCSCC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(thian-4-yl)amino]ethanol?
The InChIKey is MACYAFHWAGCECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c12-6-5-11(9-1-2-9)10-3-7-13-8-4-10/h9-10,12H,1-8H2.
What are the key properties of 2-[cyclopropyl(thian-4-yl)amino]ethanol?
2-[cyclopropyl(thian-4-yl)amino]ethanol has a molecular weight of 201.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thian-4-yl)amino]ethanol is sourced from PubChem (CID 121203663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).