ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane

C12H22N2OS — CID 153353020

IUPACethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane
SMILESCCS(C)(C)c1ccnn1C1CCCCO1
InChIInChI=1S/C12H22N2OS/c1-4-16(2,3)12-8-9-13-14(12)11-7-5-6-10-15-11/h8-9,11H,4-7,10H2,1-3H3
InChIKeyGDWXYMSFNNHIDY-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.03
Rot. Bonds3

About ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane

ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane (PubChem CID 153353020) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane.

Molecular Properties

Compound Nameethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane
PubChem CID153353020
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Nameethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane
SMILESCCS(C)(C)c1ccnn1C1CCCCO1
InChIInChI=1S/C12H22N2OS/c1-4-16(2,3)12-8-9-13-14(12)11-7-5-6-10-15-11/h8-9,11H,4-7,10H2,1-3H3
InChIKeyGDWXYMSFNNHIDY-UHFFFAOYSA-N
XLogP3.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 88950303
CID 88950303
2-[(2S)-oxan-2-yl]pyrazole-3-carbonitrile
CID 129410450
5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 130360539
ethyl 4-[2-(oxan-2-yl)pyrazol-3-yl]benzoate
CID 135072205
4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677649
5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole
CID 126503350
2-cyclopentylpyrazole-3-sulfonyl chloride
CID 50896655
2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline
CID 159173812
[1-(oxan-2-yl)pyrazol-3-yl]methyl methanesulfonate
CID 162683794
2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677650
[5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol
CID 142521965
3-[2-(oxan-2-yl)pyrazol-3-yl]aniline
CID 170984356

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane?
The IUPAC name of ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane (CID 153353020) is ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane.
What is the SMILES notation for ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane?
The canonical SMILES for ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane is CCS(C)(C)c1ccnn1C1CCCCO1.
What is the InChIKey of ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane?
The InChIKey is GDWXYMSFNNHIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-16(2,3)12-8-9-13-14(12)11-7-5-6-10-15-11/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane?
ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane has a molecular weight of 242.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane is sourced from PubChem (CID 153353020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).