(1-tert-butylsulfanyl-3-cyclopentylpropan-2-yl)hydrazine

C12H26N2S — CID 105226363

IUPAC(1-tert-butylsulfanyl-3-cyclopentylpropan-2-yl)hydrazine
SMILESCC(C)(C)SCC(CC1CCCC1)NN
InChIInChI=1S/C12H26N2S/c1-12(2,3)15-9-11(14-13)8-10-6-4-5-7-10/h10-11,14H,4-9,13H2,1-3H3
InChIKeyWVMDXDMEZODSAL-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.93
Rot. Bonds5

About (1-tert-butylsulfanyl-3-cyclopentylpropan-2-yl)hydrazine

(1-tert-butylsulfanyl-3-cyclopentylpropan-2-yl)hydrazine (PubChem CID 105226363) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is (1-tert-butylsulfanyl-3-cyclopentylpropan-2-yl)hydrazine.

Molecular Properties

Compound Name(1-tert-butylsulfanyl-3-cyclopentylpropan-2-yl)hydrazine
PubChem CID105226363
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name(1-tert-butylsulfanyl-3-cyclopentylpropan-2-yl)hydrazine
SMILESCC(C)(C)SCC(CC1CCCC1)NN
InChIInChI=1S/C12H26N2S/c1-12(2,3)15-9-11(14-13)8-10-6-4-5-7-10/h10-11,14H,4-9,13H2,1-3H3
InChIKeyWVMDXDMEZODSAL-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylsulfanyl-3-cyclopentylpropan-2-yl)hydrazine?
The IUPAC name of (1-tert-butylsulfanyl-3-cyclopentylpropan-2-yl)hydrazine (CID 105226363) is (1-tert-butylsulfanyl-3-cyclopentylpropan-2-yl)hydrazine.
What is the SMILES notation for (1-tert-butylsulfanyl-3-cyclopentylpropan-2-yl)hydrazine?
The canonical SMILES for (1-tert-butylsulfanyl-3-cyclopentylpropan-2-yl)hydrazine is CC(C)(C)SCC(CC1CCCC1)NN.
What is the InChIKey of (1-tert-butylsulfanyl-3-cyclopentylpropan-2-yl)hydrazine?
The InChIKey is WVMDXDMEZODSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-12(2,3)15-9-11(14-13)8-10-6-4-5-7-10/h10-11,14H,4-9,13H2,1-3H3.
What are the key properties of (1-tert-butylsulfanyl-3-cyclopentylpropan-2-yl)hydrazine?
(1-tert-butylsulfanyl-3-cyclopentylpropan-2-yl)hydrazine has a molecular weight of 230.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylsulfanyl-3-cyclopentylpropan-2-yl)hydrazine is sourced from PubChem (CID 105226363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).