2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol

C10H19NO3S — CID 117238530

IUPAC2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol
SMILESO=S1(=O)CCC(C(O)CNC2CC2)CC1
InChIInChI=1S/C10H19NO3S/c12-10(7-11-9-1-2-9)8-3-5-15(13,14)6-4-8/h8-12H,1-7H2
InChIKeyBOVTVEBAWBRFKA-UHFFFAOYSA-N
MW233.33 g/mol
LogP-0.08
Rot. Bonds4

About 2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol

2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol (PubChem CID 117238530) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol
PubChem CID117238530
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol
SMILESO=S1(=O)CCC(C(O)CNC2CC2)CC1
InChIInChI=1S/C10H19NO3S/c12-10(7-11-9-1-2-9)8-3-5-15(13,14)6-4-8/h8-12H,1-7H2
InChIKeyBOVTVEBAWBRFKA-UHFFFAOYSA-N
XLogP-0.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol
CID 117238543
3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide
CID 106170603
3-(cyclobutylamino)-2-(1,1-dioxothian-4-yl)propanoic acid
CID 117239504
1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol
CID 82279875
methyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate
CID 112753596
2-amino-3-[(1,1-dioxothian-4-yl)amino]propanoic acid
CID 64583635
2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride
CID 115051117
4-[(1,1-dioxothian-4-yl)amino]butan-2-ol
CID 64910901
N-[2-(1,1-dioxothiolan-3-yl)-5,5-dimethylhexyl]cyclopropanamine
CID 62531268
1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol
CID 82283753
2-(azepan-4-ylamino)-1-cyclopropylethanol
CID 103982114
1-(1,1-dioxothian-4-yl)-2-piperidin-1-ylethanol
CID 117238604

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol?
The IUPAC name of 2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol (CID 117238530) is 2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol.
What is the SMILES notation for 2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol?
The canonical SMILES for 2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol is O=S1(=O)CCC(C(O)CNC2CC2)CC1.
What is the InChIKey of 2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol?
The InChIKey is BOVTVEBAWBRFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-10(7-11-9-1-2-9)8-3-5-15(13,14)6-4-8/h8-12H,1-7H2.
What are the key properties of 2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol?
2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol has a molecular weight of 233.33 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol is sourced from PubChem (CID 117238530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).