(1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine

C10H17N3O2S — CID 104941648

IUPAC(1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17N3O2S/c1-2-9(11)10-5-12-7-13(10)8-3-4-16(14,15)6-8/h5,7-9H,2-4,6,11H2,1H3/t8?,9-/m1/s1
InChIKeyCDESMJSVICCGGL-YGPZHTELSA-N
MW243.33 g/mol
LogP0.65
Rot. Bonds3

About (1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine

(1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine (PubChem CID 104941648) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is (1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine
PubChem CID104941648
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name(1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17N3O2S/c1-2-9(11)10-5-12-7-13(10)8-3-4-16(14,15)6-8/h5,7-9H,2-4,6,11H2,1H3/t8?,9-/m1/s1
InChIKeyCDESMJSVICCGGL-YGPZHTELSA-N
XLogP0.65
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1,1-dioxothian-3-yl)imidazol-4-yl]ethanamine
CID 114706024
(1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine
CID 104942372
(1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine
CID 104943429
1-[3-(1,1-dioxothietan-3-yl)imidazol-4-yl]ethanamine
CID 130921357
(1R)-1-[3-(2,3-dihydro-1H-inden-2-yl)imidazol-4-yl]propan-1-amine
CID 114009435
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 106259446
N-[[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66147330
1-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 62728955
(3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide
CID 79026971
3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide
CID 114702845
2-[3-(1,1-dioxothian-3-yl)imidazol-4-yl]ethanamine
CID 114720388
2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol
CID 114704961

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine (CID 104941648) is (1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1C1CCS(=O)(=O)C1.
What is the InChIKey of (1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine?
The InChIKey is CDESMJSVICCGGL-YGPZHTELSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-9(11)10-5-12-7-13(10)8-3-4-16(14,15)6-8/h5,7-9H,2-4,6,11H2,1H3/t8?,9-/m1/s1.
What are the key properties of (1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine?
(1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine has a molecular weight of 243.33 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104941648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).