N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide

C11H22N2O3S — CID 112688507

IUPACN-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide
SMILESCC(C)(C)NC(=O)CCNC1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)13-10(14)4-6-12-9-5-7-17(15,16)8-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyYGQZXIFUVZLCBK-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.07
Rot. Bonds4

About N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide

N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide (PubChem CID 112688507) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide
PubChem CID112688507
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide
SMILESCC(C)(C)NC(=O)CCNC1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)13-10(14)4-6-12-9-5-7-17(15,16)8-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyYGQZXIFUVZLCBK-UHFFFAOYSA-N
XLogP0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-3-(cyclooctylamino)propanamide
CID 112688516
N-(3,3-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 60683378
N-(2,5-dimethylphenyl)-3-[(1,1-dioxothiolan-3-yl)amino]propanamide
CID 109026478
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)propanamide
CID 62831905
3-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 110965403
N-(2-bromophenyl)-3-[(1,1-dioxothiolan-3-yl)amino]propanamide
CID 109026542
methyl 3-[(1,1-dioxothian-3-yl)amino]propanoate
CID 63910873
N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 60666980
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide
CID 114231963
3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109026520

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide (CID 112688507) is N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide is CC(C)(C)NC(=O)CCNC1CCS(=O)(=O)C1.
What is the InChIKey of N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide?
The InChIKey is YGQZXIFUVZLCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2,3)13-10(14)4-6-12-9-5-7-17(15,16)8-9/h9,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide?
N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide has a molecular weight of 262.37 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide is sourced from PubChem (CID 112688507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).