2-[propan-2-yl(sulfanyl)amino]propane-2-thiol

C6H15NS2 — CID 175552252

IUPAC2-[propan-2-yl(sulfanyl)amino]propane-2-thiol
SMILESCC(C)N(S)C(C)(C)S
InChIInChI=1S/C6H15NS2/c1-5(2)7(9)6(3,4)8/h5,8-9H,1-4H3
InChIKeyGSONJCIOFPGGAE-UHFFFAOYSA-N
MW165.33 g/mol
LogP2.21
Rot. Bonds2

About 2-[propan-2-yl(sulfanyl)amino]propane-2-thiol

2-[propan-2-yl(sulfanyl)amino]propane-2-thiol (PubChem CID 175552252) has the molecular formula C6H15NS2 and a molecular weight of 165.33 g/mol. Its IUPAC name is 2-[propan-2-yl(sulfanyl)amino]propane-2-thiol.

Molecular Properties

Compound Name2-[propan-2-yl(sulfanyl)amino]propane-2-thiol
PubChem CID175552252
Molecular FormulaC6H15NS2
Molecular Weight165.33 g/mol
Exact Mass165.06
IUPAC Name2-[propan-2-yl(sulfanyl)amino]propane-2-thiol
SMILESCC(C)N(S)C(C)(C)S
InChIInChI=1S/C6H15NS2/c1-5(2)7(9)6(3,4)8/h5,8-9H,1-4H3
InChIKeyGSONJCIOFPGGAE-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol
CID 154350594
3-tert-butyl-2,4,4-trimethylpentane-2-thiol
CID 87156736
3-aminobutane-2,2-dithiol
CID 145385603
3-iodo-2-methylbutane-2-thiol
CID 88560023
3,7-dimethyloctane-2,3,6-trithiol
CID 153308988
N-propan-2-yl-N-[propan-2-yl(sulfanyl)amino]sulfanylthiohydroxylamine
CID 89305028
4-methylpentane-2,2,3,3-tetrathiol
CID 135254377
2-methyl-2-sulfanylpropane-1-sulfonate
CID 140801867
azane;2-methylpropane-2-thiol
CID 87874435
1-propan-2-ylsulfanylethane-1,1-dithiol
CID 141251524
2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane
CID 174913828
2,6,6,7-tetramethyloctane-2-thiol
CID 166829335

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(sulfanyl)amino]propane-2-thiol?
The IUPAC name of 2-[propan-2-yl(sulfanyl)amino]propane-2-thiol (CID 175552252) is 2-[propan-2-yl(sulfanyl)amino]propane-2-thiol.
What is the SMILES notation for 2-[propan-2-yl(sulfanyl)amino]propane-2-thiol?
The canonical SMILES for 2-[propan-2-yl(sulfanyl)amino]propane-2-thiol is CC(C)N(S)C(C)(C)S.
What is the InChIKey of 2-[propan-2-yl(sulfanyl)amino]propane-2-thiol?
The InChIKey is GSONJCIOFPGGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS2/c1-5(2)7(9)6(3,4)8/h5,8-9H,1-4H3.
What are the key properties of 2-[propan-2-yl(sulfanyl)amino]propane-2-thiol?
2-[propan-2-yl(sulfanyl)amino]propane-2-thiol has a molecular weight of 165.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(sulfanyl)amino]propane-2-thiol is sourced from PubChem (CID 175552252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).