N-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine

C7H13N3O2S — CID 115601230

IUPACN-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESO=S1(=O)CCC(NC2=NCCN2)C1
InChIInChI=1S/C7H13N3O2S/c11-13(12)4-1-6(5-13)10-7-8-2-3-9-7/h6H,1-5H2,(H2,8,9,10)
InChIKeyYXHQEXKOAOCVQP-UHFFFAOYSA-N
MW203.27 g/mol
LogP-1.28
Rot. Bonds1

About N-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine

N-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 115601230) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID115601230
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESO=S1(=O)CCC(NC2=NCCN2)C1
InChIInChI=1S/C7H13N3O2S/c11-13(12)4-1-6(5-13)10-7-8-2-3-9-7/h6H,1-5H2,(H2,8,9,10)
InChIKeyYXHQEXKOAOCVQP-UHFFFAOYSA-N
XLogP-1.28
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(thian-4-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 115609026
N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547628
N-(1,1-dioxothian-3-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 79504359
3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 61373712
3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile
CID 62671449
N-[(3R)-1,1-dioxothiolan-3-yl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 7116120
5-[(1,1-dioxothiolan-3-yl)amino]isoindole-1,3-dione
CID 43197052
4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine
CID 82235461
5-[[(1,1-dioxothiolan-3-yl)amino]methyl]pyrrolidin-2-one
CID 60727214
1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine
CID 43126505
1,1-dioxo-N-(2,4,5-trifluorophenyl)thiolan-3-amine
CID 55118632
N-(1,1-dioxothiolan-3-yl)-6-piperidin-4-ylpyridin-2-amine
CID 110271425

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine (CID 115601230) is N-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine is O=S1(=O)CCC(NC2=NCCN2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is YXHQEXKOAOCVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c11-13(12)4-1-6(5-13)10-7-8-2-3-9-7/h6H,1-5H2,(H2,8,9,10).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine?
N-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 203.27 g/mol, XLogP of -1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 115601230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).