4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol

C9H22N2O4S — CID 106143688

IUPAC4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol
SMILESCOCCNS(=O)(=O)NCC(C)(C)CCO
InChIInChI=1S/C9H22N2O4S/c1-9(2,4-6-12)8-11-16(13,14)10-5-7-15-3/h10-12H,4-8H2,1-3H3
InChIKeyFEXQPPYQQRFABA-UHFFFAOYSA-N
MW254.35 g/mol
LogP-0.53
Rot. Bonds9

About 4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol

4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol (PubChem CID 106143688) has the molecular formula C9H22N2O4S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol
PubChem CID106143688
Molecular FormulaC9H22N2O4S
Molecular Weight254.35 g/mol
Exact Mass254.13
IUPAC Name4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol
SMILESCOCCNS(=O)(=O)NCC(C)(C)CCO
InChIInChI=1S/C9H22N2O4S/c1-9(2,4-6-12)8-11-16(13,14)10-5-7-15-3/h10-12H,4-8H2,1-3H3
InChIKeyFEXQPPYQQRFABA-UHFFFAOYSA-N
XLogP-0.53
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one
CID 114815341
N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113347924
N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide
CID 104624458
2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol
CID 107848380
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol
CID 106146692
2,2-dimethyl-N-(propylsulfamoyl)butane-1,4-diamine
CID 106141642
2-(2-methoxyethylsulfamoylamino)ethanesulfonamide
CID 114816615
N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide
CID 103836501
N-(2-methoxyethyl)sulfamoyl chloride
CID 22326608
4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid
CID 114814766
3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
CID 106353414
4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62726162

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol (CID 106143688) is 4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol is COCCNS(=O)(=O)NCC(C)(C)CCO.
What is the InChIKey of 4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol?
The InChIKey is FEXQPPYQQRFABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O4S/c1-9(2,4-6-12)8-11-16(13,14)10-5-7-15-3/h10-12H,4-8H2,1-3H3.
What are the key properties of 4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol?
4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol has a molecular weight of 254.35 g/mol, XLogP of -0.53, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106143688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).