2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide

C8H17N3O3S — CID 103245063

IUPAC2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide
SMILESCC1(NCC(N)C(N)=O)CCS(=O)(=O)C1
InChIInChI=1S/C8H17N3O3S/c1-8(2-3-15(13,14)5-8)11-4-6(9)7(10)12/h6,11H,2-5,9H2,1H3,(H2,10,12)
InChIKeyBPBIOPKCXFBYDJ-UHFFFAOYSA-N
MW235.31 g/mol
LogP-2.03
Rot. Bonds4

About 2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide

2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide (PubChem CID 103245063) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide.

Molecular Properties

Compound Name2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide
PubChem CID103245063
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide
SMILESCC1(NCC(N)C(N)=O)CCS(=O)(=O)C1
InChIInChI=1S/C8H17N3O3S/c1-8(2-3-15(13,14)5-8)11-4-6(9)7(10)12/h6,11H,2-5,9H2,1H3,(H2,10,12)
InChIKeyBPBIOPKCXFBYDJ-UHFFFAOYSA-N
XLogP-2.03
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine
CID 43679704
2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7059103
3-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]propanoic acid
CID 129366944
2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide
CID 60720147
1-(3-methyl-1,1-dioxothiolan-3-yl)-3-(2-methylpropyl)urea
CID 3436222
2-(1-aminocyclopentyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 64685407
3-chloro-2-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 62727568
5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide
CID 82848148
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide
CID 65464423
2-ethyl-N'-(3-methyl-1,1-dioxothiolan-3-yl)butane-1,4-diamine
CID 81079908
4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]butanenitrile
CID 60720124

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide?
The IUPAC name of 2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide (CID 103245063) is 2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide.
What is the SMILES notation for 2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide?
The canonical SMILES for 2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide is CC1(NCC(N)C(N)=O)CCS(=O)(=O)C1.
What is the InChIKey of 2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide?
The InChIKey is BPBIOPKCXFBYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-8(2-3-15(13,14)5-8)11-4-6(9)7(10)12/h6,11H,2-5,9H2,1H3,(H2,10,12).
What are the key properties of 2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide?
2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide has a molecular weight of 235.31 g/mol, XLogP of -2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide is sourced from PubChem (CID 103245063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).