N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine

C11H18N4O2S — CID 50957446

IUPACN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(Cc1nc(C2CC2)n[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H18N4O2S/c1-15(9-4-5-18(16,17)7-9)6-10-12-11(14-13-10)8-2-3-8/h8-9H,2-7H2,1H3,(H,12,13,14)
InChIKeyVVMNOPLEZKOHNJ-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.30
Rot. Bonds4

About N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine

N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 50957446) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID50957446
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(Cc1nc(C2CC2)n[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H18N4O2S/c1-15(9-4-5-18(16,17)7-9)6-10-12-11(14-13-10)8-2-3-8/h8-9H,2-7H2,1H3,(H,12,13,14)
InChIKeyVVMNOPLEZKOHNJ-UHFFFAOYSA-N
XLogP0.30
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine with MolForge

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Related Compounds

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine
CID 71872437
(4aR*,7aS*)-1-(cyclopropylmethyl)-4-[(3-methyl-1H-1,2,4-triazol-5-yl)methyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 72897473
N-[1-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
CID 50970837
5-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)-3-[2-(cyclopropylmethylsulfonyl)propan-2-yl]-1H-1,2,4-triazole
CID 68054612
N-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18134359
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 18144183
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 18144184
N-butyl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18158310
N-butyl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30472506
N-butyl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30472508
N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-N-methyltetrahydrothiophen-3-amine 1,1-dioxide
CID 50971278
3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole
CID 50971386

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 50957446) is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine is CN(Cc1nc(C2CC2)n[nH]1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is VVMNOPLEZKOHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-15(9-4-5-18(16,17)7-9)6-10-12-11(14-13-10)8-2-3-8/h8-9H,2-7H2,1H3,(H,12,13,14).
What are the key properties of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 270.36 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 50957446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).