N-cyclopropyl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide

C10H18N2O4S — CID 79394521

IUPACN-cyclopropyl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide
SMILESO=C(CCNC1CS(=O)(=O)CC1O)NC1CC1
InChIInChI=1S/C10H18N2O4S/c13-9-6-17(15,16)5-8(9)11-4-3-10(14)12-7-1-2-7/h7-9,11,13H,1-6H2,(H,12,14)
InChIKeyFEHOMDAAJPIIME-UHFFFAOYSA-N
MW262.33 g/mol
LogP-1.60
Rot. Bonds5

About N-cyclopropyl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide

N-cyclopropyl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide (PubChem CID 79394521) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide
PubChem CID79394521
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC NameN-cyclopropyl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide
SMILESO=C(CCNC1CS(=O)(=O)CC1O)NC1CC1
InChIInChI=1S/C10H18N2O4S/c13-9-6-17(15,16)5-8(9)11-4-3-10(14)12-7-1-2-7/h7-9,11,13H,1-6H2,(H,12,14)
InChIKeyFEHOMDAAJPIIME-UHFFFAOYSA-N
XLogP-1.60
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate
CID 60719747
(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol
CID 7138714
3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683202
N-[2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]ethyl]propanamide
CID 99975555
(3S,4S)-4-(3-hydroxypropylamino)-1,1-dioxothiolan-3-ol
CID 6347765
4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol
CID 115638949
3-(cyclobutylamino)-N-cyclopropylpropanamide
CID 62627198
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid
CID 6354533
(3S,4S)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-ol
CID 6347761
(3R,4S)-4-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-ol
CID 1383919
N,N'-dicyclopropylbutanediamide
CID 5225156

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide (CID 79394521) is N-cyclopropyl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide is O=C(CCNC1CS(=O)(=O)CC1O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide?
The InChIKey is FEHOMDAAJPIIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c13-9-6-17(15,16)5-8(9)11-4-3-10(14)12-7-1-2-7/h7-9,11,13H,1-6H2,(H,12,14).
What are the key properties of N-cyclopropyl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide?
N-cyclopropyl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide has a molecular weight of 262.33 g/mol, XLogP of -1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide is sourced from PubChem (CID 79394521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).