N-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide

C11H20N2O3S — CID 65189052

IUPACN-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESNCC(NC(=O)CC1CCS(=O)(=O)C1)C1CC1
InChIInChI=1S/C11H20N2O3S/c12-6-10(9-1-2-9)13-11(14)5-8-3-4-17(15,16)7-8/h8-10H,1-7,12H2,(H,13,14)
InChIKeyNKEGLZLNJITNBD-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.34
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide

N-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 65189052) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID65189052
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESNCC(NC(=O)CC1CCS(=O)(=O)C1)C1CC1
InChIInChI=1S/C11H20N2O3S/c12-6-10(9-1-2-9)13-11(14)5-8-3-4-17(15,16)7-8/h8-10H,1-7,12H2,(H,13,14)
InChIKeyNKEGLZLNJITNBD-UHFFFAOYSA-N
XLogP-0.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
CID 171049196
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 21179606
2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79252269
2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920095
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43649140
N-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 63193390
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-4-methylpentanoic acid
CID 21179604
N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 17408993
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 43649111
N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 3538538
(2S)-2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 61153148
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-4-methoxybutanoic acid
CID 62479316

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide (CID 65189052) is N-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide is NCC(NC(=O)CC1CCS(=O)(=O)C1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is NKEGLZLNJITNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c12-6-10(9-1-2-9)13-11(14)5-8-3-4-17(15,16)7-8/h8-10H,1-7,12H2,(H,13,14).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
N-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 260.36 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 65189052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).