3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide

C12H22N2O4S — CID 54870833

IUPAC3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCNC1CC1)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O4S/c15-7-6-14(11-4-8-19(17,18)9-11)12(16)3-5-13-10-1-2-10/h10-11,13,15H,1-9H2
InChIKeyJIOYHVDFFBKPCU-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.86
Rot. Bonds7

About 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide

3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide (PubChem CID 54870833) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
PubChem CID54870833
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCNC1CC1)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O4S/c15-7-6-14(11-4-8-19(17,18)9-11)12(16)3-5-13-10-1-2-10/h10-11,13,15H,1-9H2
InChIKeyJIOYHVDFFBKPCU-UHFFFAOYSA-N
XLogP-0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide (CID 54870833) is 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide is O=C(CCNC1CC1)N(CCO)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is JIOYHVDFFBKPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c15-7-6-14(11-4-8-19(17,18)9-11)12(16)3-5-13-10-1-2-10/h10-11,13,15H,1-9H2.
What are the key properties of 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide?
3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 290.39 g/mol, XLogP of -0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 54870833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).