2-[2-ethylsulfanyl-2-(propan-2-ylamino)hydrazinyl]propane

C8H21N3S — CID 151034457

IUPAC2-[2-ethylsulfanyl-2-(propan-2-ylamino)hydrazinyl]propane
SMILESCCSN(NC(C)C)NC(C)C
InChIInChI=1S/C8H21N3S/c1-6-12-11(9-7(2)3)10-8(4)5/h7-10H,6H2,1-5H3
InChIKeyMATSXLDNHHKYRJ-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.78
Rot. Bonds6

About 2-[2-ethylsulfanyl-2-(propan-2-ylamino)hydrazinyl]propane

2-[2-ethylsulfanyl-2-(propan-2-ylamino)hydrazinyl]propane (PubChem CID 151034457) has the molecular formula C8H21N3S and a molecular weight of 191.34 g/mol. Its IUPAC name is 2-[2-ethylsulfanyl-2-(propan-2-ylamino)hydrazinyl]propane.

Molecular Properties

Compound Name2-[2-ethylsulfanyl-2-(propan-2-ylamino)hydrazinyl]propane
PubChem CID151034457
Molecular FormulaC8H21N3S
Molecular Weight191.34 g/mol
Exact Mass191.15
IUPAC Name2-[2-ethylsulfanyl-2-(propan-2-ylamino)hydrazinyl]propane
SMILESCCSN(NC(C)C)NC(C)C
InChIInChI=1S/C8H21N3S/c1-6-12-11(9-7(2)3)10-8(4)5/h7-10H,6H2,1-5H3
InChIKeyMATSXLDNHHKYRJ-UHFFFAOYSA-N
XLogP1.78
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethylsulfanyl-2-(propan-2-ylamino)hydrazinyl]propane?
The IUPAC name of 2-[2-ethylsulfanyl-2-(propan-2-ylamino)hydrazinyl]propane (CID 151034457) is 2-[2-ethylsulfanyl-2-(propan-2-ylamino)hydrazinyl]propane.
What is the SMILES notation for 2-[2-ethylsulfanyl-2-(propan-2-ylamino)hydrazinyl]propane?
The canonical SMILES for 2-[2-ethylsulfanyl-2-(propan-2-ylamino)hydrazinyl]propane is CCSN(NC(C)C)NC(C)C.
What is the InChIKey of 2-[2-ethylsulfanyl-2-(propan-2-ylamino)hydrazinyl]propane?
The InChIKey is MATSXLDNHHKYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3S/c1-6-12-11(9-7(2)3)10-8(4)5/h7-10H,6H2,1-5H3.
What are the key properties of 2-[2-ethylsulfanyl-2-(propan-2-ylamino)hydrazinyl]propane?
2-[2-ethylsulfanyl-2-(propan-2-ylamino)hydrazinyl]propane has a molecular weight of 191.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethylsulfanyl-2-(propan-2-ylamino)hydrazinyl]propane is sourced from PubChem (CID 151034457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).