4-[(1-cyclopropylimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide

C11H17N3O2S — CID 91834197

IUPAC4-[(1-cyclopropylimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2nccn2C2CC2)CC1
InChIInChI=1S/C11H17N3O2S/c15-17(16)7-5-13(6-8-17)9-11-12-3-4-14(11)10-1-2-10/h3-4,10H,1-2,5-9H2
InChIKeyJNCVFQREUNDURV-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.45
Rot. Bonds3

About 4-[(1-cyclopropylimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(1-cyclopropylimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 91834197) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-[(1-cyclopropylimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(1-cyclopropylimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID91834197
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-[(1-cyclopropylimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2nccn2C2CC2)CC1
InChIInChI=1S/C11H17N3O2S/c15-17(16)7-5-13(6-8-17)9-11-12-3-4-14(11)10-1-2-10/h3-4,10H,1-2,5-9H2
InChIKeyJNCVFQREUNDURV-UHFFFAOYSA-N
XLogP0.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Imidazol-1-ylpiperidin-1-yl)-2-propan-2-ylsulfonylethanone
CID 53620653
1-[(1-Ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine
CID 56802168
(4aR*,7aS*)-1-(cyclopropylmethyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70771745
(NE)-N-[[1-methyl-3-(3-methylsulfonylpropyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine chloride
CID 136002006
(NE)-N-[[1-methyl-3-(4-methylsulfonylbutyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine chloride
CID 136002038
(NE)-N-[[1-ethyl-3-(3-methylsulfonylpropyl)imidazol-3-ium-2-yl]methylidene]hydroxylamine chloride
CID 136002051
(NE)-N-[[1-(2-ethylsulfonylethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine chloride
CID 136002075
4-((1H-imidazol-1-yl)methyl)-1-(cyclopropylsulfonyl)piperidine
CID 71781104
4-(1-Butyl-1H-imidazol-3-ium-3-yl)butane-1-sulfonate
CID 16069366
1-(1-Butyl-3-imidazolio)propane-3-sulfonate
CID 47157790
1H-Imidazolium, 3-ethenyl-1-(3-sulfopropyl)-, inner salt
CID 59435292
1-(1-Ethyl-3-imidazolio)butane-4-sulfonate
CID 71581764

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(1-cyclopropylimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide (CID 91834197) is 4-[(1-cyclopropylimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(1-cyclopropylimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(1-cyclopropylimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2nccn2C2CC2)CC1.
What is the InChIKey of 4-[(1-cyclopropylimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is JNCVFQREUNDURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c15-17(16)7-5-13(6-8-17)9-11-12-3-4-14(11)10-1-2-10/h3-4,10H,1-2,5-9H2.
What are the key properties of 4-[(1-cyclopropylimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(1-cyclopropylimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 255.34 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 91834197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).