3-[(dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane

C11H26N2O2S — CID 58124476

IUPAC3-[(dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane
SMILESCC(C)C(CNS(=O)(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-9(2)10(11(3,4)5)8-12-16(14,15)13(6)7/h9-10,12H,8H2,1-7H3
InChIKeyLKPCBCCKCCXEQI-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.70
Rot. Bonds5

About 3-[(dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane

3-[(dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane (PubChem CID 58124476) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 3-[(dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane.

Molecular Properties

Compound Name3-[(dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane
PubChem CID58124476
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC Name3-[(dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane
SMILESCC(C)C(CNS(=O)(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-9(2)10(11(3,4)5)8-12-16(14,15)13(6)7/h9-10,12H,8H2,1-7H3
InChIKeyLKPCBCCKCCXEQI-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane?
The IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane (CID 58124476) is 3-[(dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane.
What is the SMILES notation for 3-[(dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane?
The canonical SMILES for 3-[(dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane is CC(C)C(CNS(=O)(=O)N(C)C)C(C)(C)C.
What is the InChIKey of 3-[(dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane?
The InChIKey is LKPCBCCKCCXEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-9(2)10(11(3,4)5)8-12-16(14,15)13(6)7/h9-10,12H,8H2,1-7H3.
What are the key properties of 3-[(dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane?
3-[(dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane has a molecular weight of 250.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane is sourced from PubChem (CID 58124476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).