[1-(2-methylpropylsulfanyl)-3-(oxan-4-yl)propan-2-yl]hydrazine

C12H26N2OS — CID 105226711

IUPAC[1-(2-methylpropylsulfanyl)-3-(oxan-4-yl)propan-2-yl]hydrazine
SMILESCC(C)CSCC(CC1CCOCC1)NN
InChIInChI=1S/C12H26N2OS/c1-10(2)8-16-9-12(14-13)7-11-3-5-15-6-4-11/h10-12,14H,3-9,13H2,1-2H3
InChIKeyWVDCNSJALWWMNJ-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.02
Rot. Bonds7

About [1-(2-methylpropylsulfanyl)-3-(oxan-4-yl)propan-2-yl]hydrazine

[1-(2-methylpropylsulfanyl)-3-(oxan-4-yl)propan-2-yl]hydrazine (PubChem CID 105226711) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is [1-(2-methylpropylsulfanyl)-3-(oxan-4-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-methylpropylsulfanyl)-3-(oxan-4-yl)propan-2-yl]hydrazine
PubChem CID105226711
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name[1-(2-methylpropylsulfanyl)-3-(oxan-4-yl)propan-2-yl]hydrazine
SMILESCC(C)CSCC(CC1CCOCC1)NN
InChIInChI=1S/C12H26N2OS/c1-10(2)8-16-9-12(14-13)7-11-3-5-15-6-4-11/h10-12,14H,3-9,13H2,1-2H3
InChIKeyWVDCNSJALWWMNJ-UHFFFAOYSA-N
XLogP2.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-methyl-1-(oxan-4-yl)hexan-2-yl]hydrazine
CID 105207471
[4-methoxy-1-(oxan-4-yl)pentan-2-yl]hydrazine
CID 105266970
[1-cyclopropyl-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 105265917
1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65134979
2-methylpropylcyclobutane;4-(2-methylpropyl)oxane
CID 157070530
1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65135768
(1-cyclohexyl-3-methylsulfanylpropan-2-yl)hydrazine
CID 105213841
[1-cycloheptyl-2-(2-methylpropylsulfanyl)ethyl]hydrazine
CID 105226774
[3,4-dimethyl-1-(oxan-4-yl)pentan-2-yl]hydrazine
CID 105298895
[1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine
CID 105236374
[1-(2-methylpropylsulfanyl)-3-propan-2-yloxypropan-2-yl]hydrazine
CID 105226947
1-(oxan-4-yl)propan-2-amine
CID 21054632

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropylsulfanyl)-3-(oxan-4-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-methylpropylsulfanyl)-3-(oxan-4-yl)propan-2-yl]hydrazine (CID 105226711) is [1-(2-methylpropylsulfanyl)-3-(oxan-4-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-methylpropylsulfanyl)-3-(oxan-4-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-methylpropylsulfanyl)-3-(oxan-4-yl)propan-2-yl]hydrazine is CC(C)CSCC(CC1CCOCC1)NN.
What is the InChIKey of [1-(2-methylpropylsulfanyl)-3-(oxan-4-yl)propan-2-yl]hydrazine?
The InChIKey is WVDCNSJALWWMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-10(2)8-16-9-12(14-13)7-11-3-5-15-6-4-11/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of [1-(2-methylpropylsulfanyl)-3-(oxan-4-yl)propan-2-yl]hydrazine?
[1-(2-methylpropylsulfanyl)-3-(oxan-4-yl)propan-2-yl]hydrazine has a molecular weight of 246.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropylsulfanyl)-3-(oxan-4-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105226711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).