3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol

C9H22N2O4S — CID 106353414

IUPAC3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
SMILESCOCCNS(=O)(=O)NC(CCO)C(C)C
InChIInChI=1S/C9H22N2O4S/c1-8(2)9(4-6-12)11-16(13,14)10-5-7-15-3/h8-12H,4-7H2,1-3H3
InChIKeyXFKNVYXPWXZHTI-UHFFFAOYSA-N
MW254.35 g/mol
LogP-0.54
Rot. Bonds9

About 3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol

3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol (PubChem CID 106353414) has the molecular formula C9H22N2O4S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
PubChem CID106353414
Molecular FormulaC9H22N2O4S
Molecular Weight254.35 g/mol
Exact Mass254.13
IUPAC Name3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
SMILESCOCCNS(=O)(=O)NC(CCO)C(C)C
InChIInChI=1S/C9H22N2O4S/c1-8(2)9(4-6-12)11-16(13,14)10-5-7-15-3/h8-12H,4-7H2,1-3H3
InChIKeyXFKNVYXPWXZHTI-UHFFFAOYSA-N
XLogP-0.54
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 ≤ 5-0.54
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

2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol
CID 114815733
4-methyl-3-(propylsulfamoylamino)pentan-1-ol
CID 106353409
3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid
CID 114814837
3-(2-methoxyethylamino)-4-methylpentan-1-ol
CID 104696168
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine
CID 114816692
(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
CID 107564844
3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol
CID 115724585
3-(2-methoxyethylsulfamoylamino)hexanoic acid
CID 114814835
N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide
CID 106357397
2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol
CID 107848380
N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide
CID 78998841

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol?
The IUPAC name of 3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol (CID 106353414) is 3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol?
The canonical SMILES for 3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol is COCCNS(=O)(=O)NC(CCO)C(C)C.
What is the InChIKey of 3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol?
The InChIKey is XFKNVYXPWXZHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O4S/c1-8(2)9(4-6-12)11-16(13,14)10-5-7-15-3/h8-12H,4-7H2,1-3H3.
What are the key properties of 3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol?
3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol has a molecular weight of 254.35 g/mol, XLogP of -0.54, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 106353414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).