2-(hydroxysulfonothioylamino)-2,6,6-trimethylheptane

C10H23NO2S2 — CID 146353189

IUPAC2-(hydroxysulfonothioylamino)-2,6,6-trimethylheptane
SMILESCC(C)(C)CCCC(C)(C)NS(=O)(O)=S
InChIInChI=1S/C10H23NO2S2/c1-9(2,3)7-6-8-10(4,5)11-15(12,13)14/h11H,6-8H2,1-5H3,(H,12,13,14)
InChIKeyZDAUKNVVZOXJRU-UHFFFAOYSA-N
MW253.43 g/mol
LogP2.71
Rot. Bonds5

About 2-(hydroxysulfonothioylamino)-2,6,6-trimethylheptane

2-(hydroxysulfonothioylamino)-2,6,6-trimethylheptane (PubChem CID 146353189) has the molecular formula C10H23NO2S2 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-(hydroxysulfonothioylamino)-2,6,6-trimethylheptane.

Molecular Properties

Compound Name2-(hydroxysulfonothioylamino)-2,6,6-trimethylheptane
PubChem CID146353189
Molecular FormulaC10H23NO2S2
Molecular Weight253.43 g/mol
Exact Mass253.12
IUPAC Name2-(hydroxysulfonothioylamino)-2,6,6-trimethylheptane
SMILESCC(C)(C)CCCC(C)(C)NS(=O)(O)=S
InChIInChI=1S/C10H23NO2S2/c1-9(2,3)7-6-8-10(4,5)11-15(12,13)14/h11H,6-8H2,1-5H3,(H,12,13,14)
InChIKeyZDAUKNVVZOXJRU-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxysulfonothioylamino)-2,6,6-trimethylheptane?
The IUPAC name of 2-(hydroxysulfonothioylamino)-2,6,6-trimethylheptane (CID 146353189) is 2-(hydroxysulfonothioylamino)-2,6,6-trimethylheptane.
What is the SMILES notation for 2-(hydroxysulfonothioylamino)-2,6,6-trimethylheptane?
The canonical SMILES for 2-(hydroxysulfonothioylamino)-2,6,6-trimethylheptane is CC(C)(C)CCCC(C)(C)NS(=O)(O)=S.
What is the InChIKey of 2-(hydroxysulfonothioylamino)-2,6,6-trimethylheptane?
The InChIKey is ZDAUKNVVZOXJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S2/c1-9(2,3)7-6-8-10(4,5)11-15(12,13)14/h11H,6-8H2,1-5H3,(H,12,13,14).
What are the key properties of 2-(hydroxysulfonothioylamino)-2,6,6-trimethylheptane?
2-(hydroxysulfonothioylamino)-2,6,6-trimethylheptane has a molecular weight of 253.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxysulfonothioylamino)-2,6,6-trimethylheptane is sourced from PubChem (CID 146353189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).