N-propan-2-yl-N-[propan-2-yl(sulfanyl)amino]sulfanylthiohydroxylamine

C6H16N2S3 — CID 89305028

IUPACN-propan-2-yl-N-[propan-2-yl(sulfanyl)amino]sulfanylthiohydroxylamine
SMILESCC(C)N(S)SN(S)C(C)C
InChIInChI=1S/C6H16N2S3/c1-5(2)7(9)11-8(10)6(3)4/h5-6,9-10H,1-4H3
InChIKeyOMXPKKUPKSTDHN-UHFFFAOYSA-N
MW212.41 g/mol
LogP2.66
Rot. Bonds4

About N-propan-2-yl-N-[propan-2-yl(sulfanyl)amino]sulfanylthiohydroxylamine

N-propan-2-yl-N-[propan-2-yl(sulfanyl)amino]sulfanylthiohydroxylamine (PubChem CID 89305028) has the molecular formula C6H16N2S3 and a molecular weight of 212.41 g/mol. Its IUPAC name is N-propan-2-yl-N-[propan-2-yl(sulfanyl)amino]sulfanylthiohydroxylamine.

Molecular Properties

Compound NameN-propan-2-yl-N-[propan-2-yl(sulfanyl)amino]sulfanylthiohydroxylamine
PubChem CID89305028
Molecular FormulaC6H16N2S3
Molecular Weight212.41 g/mol
Exact Mass212.05
IUPAC NameN-propan-2-yl-N-[propan-2-yl(sulfanyl)amino]sulfanylthiohydroxylamine
SMILESCC(C)N(S)SN(S)C(C)C
InChIInChI=1S/C6H16N2S3/c1-5(2)7(9)11-8(10)6(3)4/h5-6,9-10H,1-4H3
InChIKeyOMXPKKUPKSTDHN-UHFFFAOYSA-N
XLogP2.66
TPSA6.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[propan-2-yl(sulfanyl)amino]sulfanylthiohydroxylamine?
The IUPAC name of N-propan-2-yl-N-[propan-2-yl(sulfanyl)amino]sulfanylthiohydroxylamine (CID 89305028) is N-propan-2-yl-N-[propan-2-yl(sulfanyl)amino]sulfanylthiohydroxylamine.
What is the SMILES notation for N-propan-2-yl-N-[propan-2-yl(sulfanyl)amino]sulfanylthiohydroxylamine?
The canonical SMILES for N-propan-2-yl-N-[propan-2-yl(sulfanyl)amino]sulfanylthiohydroxylamine is CC(C)N(S)SN(S)C(C)C.
What is the InChIKey of N-propan-2-yl-N-[propan-2-yl(sulfanyl)amino]sulfanylthiohydroxylamine?
The InChIKey is OMXPKKUPKSTDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S3/c1-5(2)7(9)11-8(10)6(3)4/h5-6,9-10H,1-4H3.
What are the key properties of N-propan-2-yl-N-[propan-2-yl(sulfanyl)amino]sulfanylthiohydroxylamine?
N-propan-2-yl-N-[propan-2-yl(sulfanyl)amino]sulfanylthiohydroxylamine has a molecular weight of 212.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[propan-2-yl(sulfanyl)amino]sulfanylthiohydroxylamine is sourced from PubChem (CID 89305028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).