N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide

C12H21N3O4S — CID 113056079

IUPACN-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)N(CCNC(=O)NC1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H21N3O4S/c1-9(16)15(11-4-7-20(18,19)8-11)6-5-13-12(17)14-10-2-3-10/h10-11H,2-8H2,1H3,(H2,13,14,17)
InChIKeyGZMNGUKJBSZDEO-UHFFFAOYSA-N
MW303.38 g/mol
LogP-0.52
Rot. Bonds5

About N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide

N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 113056079) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID113056079
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC NameN-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)N(CCNC(=O)NC1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H21N3O4S/c1-9(16)15(11-4-7-20(18,19)8-11)6-5-13-12(17)14-10-2-3-10/h10-11H,2-8H2,1H3,(H2,13,14,17)
InChIKeyGZMNGUKJBSZDEO-UHFFFAOYSA-N
XLogP-0.52
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide
CID 113056020
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 47238302
3-(cyclohexylcarbamoylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 37249092
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-2,6-dimethoxybenzamide
CID 113056040
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide
CID 113056033
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113056066
N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113056622
1-cyclopropyl-3-[2-[cyclopropyl(methyl)amino]ethyl]urea
CID 115595301
methyl 2-[acetyl-[(3R)-1,1-dioxothiolan-3-yl]amino]acetate
CID 39884592
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[6-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]hexyl]urea
CID 51522467
1-butyl-3-(1,1-dioxothian-4-yl)urea
CID 115585815

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 113056079) is N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide is CC(=O)N(CCNC(=O)NC1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is GZMNGUKJBSZDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-9(16)15(11-4-7-20(18,19)8-11)6-5-13-12(17)14-10-2-3-10/h10-11H,2-8H2,1H3,(H2,13,14,17).
What are the key properties of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 303.38 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 113056079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).