2,2,4,4-tetramethyl-3-(sulfamoylamino)pentane

C9H22N2O2S — CID 170381053

IUPAC2,2,4,4-tetramethyl-3-(sulfamoylamino)pentane
SMILESCC(C)(C)C(NS(N)(=O)=O)C(C)(C)C
InChIInChI=1S/C9H22N2O2S/c1-8(2,3)7(9(4,5)6)11-14(10,12)13/h7,11H,1-6H3,(H2,10,12,13)
InChIKeyUMWBLCSPOKJHQG-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.24
Rot. Bonds2

About 2,2,4,4-tetramethyl-3-(sulfamoylamino)pentane

2,2,4,4-tetramethyl-3-(sulfamoylamino)pentane (PubChem CID 170381053) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-3-(sulfamoylamino)pentane.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-3-(sulfamoylamino)pentane
PubChem CID170381053
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name2,2,4,4-tetramethyl-3-(sulfamoylamino)pentane
SMILESCC(C)(C)C(NS(N)(=O)=O)C(C)(C)C
InChIInChI=1S/C9H22N2O2S/c1-8(2,3)7(9(4,5)6)11-14(10,12)13/h7,11H,1-6H3,(H2,10,12,13)
InChIKeyUMWBLCSPOKJHQG-UHFFFAOYSA-N
XLogP1.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-3-(sulfamoylamino)pentane?
The IUPAC name of 2,2,4,4-tetramethyl-3-(sulfamoylamino)pentane (CID 170381053) is 2,2,4,4-tetramethyl-3-(sulfamoylamino)pentane.
What is the SMILES notation for 2,2,4,4-tetramethyl-3-(sulfamoylamino)pentane?
The canonical SMILES for 2,2,4,4-tetramethyl-3-(sulfamoylamino)pentane is CC(C)(C)C(NS(N)(=O)=O)C(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethyl-3-(sulfamoylamino)pentane?
The InChIKey is UMWBLCSPOKJHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-8(2,3)7(9(4,5)6)11-14(10,12)13/h7,11H,1-6H3,(H2,10,12,13).
What are the key properties of 2,2,4,4-tetramethyl-3-(sulfamoylamino)pentane?
2,2,4,4-tetramethyl-3-(sulfamoylamino)pentane has a molecular weight of 222.35 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-3-(sulfamoylamino)pentane is sourced from PubChem (CID 170381053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).