2,3-dimethyl-3-(propan-2-ylsulfamoylamino)butan-2-ol

C9H22N2O3S — CID 103947006

IUPAC2,3-dimethyl-3-(propan-2-ylsulfamoylamino)butan-2-ol
SMILESCC(C)NS(=O)(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C9H22N2O3S/c1-7(2)10-15(13,14)11-8(3,4)9(5,6)12/h7,10-12H,1-6H3
InChIKeyMSBSDDINWDLXBU-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.37
Rot. Bonds5

About 2,3-dimethyl-3-(propan-2-ylsulfamoylamino)butan-2-ol

2,3-dimethyl-3-(propan-2-ylsulfamoylamino)butan-2-ol (PubChem CID 103947006) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2,3-dimethyl-3-(propan-2-ylsulfamoylamino)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-(propan-2-ylsulfamoylamino)butan-2-ol
PubChem CID103947006
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name2,3-dimethyl-3-(propan-2-ylsulfamoylamino)butan-2-ol
SMILESCC(C)NS(=O)(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C9H22N2O3S/c1-7(2)10-15(13,14)11-8(3,4)9(5,6)12/h7,10-12H,1-6H3
InChIKeyMSBSDDINWDLXBU-UHFFFAOYSA-N
XLogP0.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(propan-2-ylsulfamoylamino)butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-(propan-2-ylsulfamoylamino)butan-2-ol (CID 103947006) is 2,3-dimethyl-3-(propan-2-ylsulfamoylamino)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-(propan-2-ylsulfamoylamino)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-(propan-2-ylsulfamoylamino)butan-2-ol is CC(C)NS(=O)(=O)NC(C)(C)C(C)(C)O.
What is the InChIKey of 2,3-dimethyl-3-(propan-2-ylsulfamoylamino)butan-2-ol?
The InChIKey is MSBSDDINWDLXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-7(2)10-15(13,14)11-8(3,4)9(5,6)12/h7,10-12H,1-6H3.
What are the key properties of 2,3-dimethyl-3-(propan-2-ylsulfamoylamino)butan-2-ol?
2,3-dimethyl-3-(propan-2-ylsulfamoylamino)butan-2-ol has a molecular weight of 238.35 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(propan-2-ylsulfamoylamino)butan-2-ol is sourced from PubChem (CID 103947006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).