1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane

C10H24N2O3S — CID 107203013

IUPAC1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane
SMILESCN(CCCCCO)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H24N2O3S/c1-10(2,3)11-16(14,15)12(4)8-6-5-7-9-13/h11,13H,5-9H2,1-4H3
InChIKeyFLANKCKZVONTJZ-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.71
Rot. Bonds7

About 1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane

1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane (PubChem CID 107203013) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane.

Molecular Properties

Compound Name1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane
PubChem CID107203013
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC Name1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane
SMILESCN(CCCCCO)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H24N2O3S/c1-10(2,3)11-16(14,15)12(4)8-6-5-7-9-13/h11,13H,5-9H2,1-4H3
InChIKeyFLANKCKZVONTJZ-UHFFFAOYSA-N
XLogP0.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide
CID 107203162
2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107199146
2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane
CID 114138802
1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide
CID 107199708
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
CID 113351676
[3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane
CID 106331865
5-[tert-butyl(methyl)amino]pentan-1-ol
CID 23381575
3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1,1,2,2-tetramethylcyclopropane
CID 79357004
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 106091151
methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate
CID 107198654
methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462
2-[[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]amino]-2-methylpropane
CID 107483602

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane?
The IUPAC name of 1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane (CID 107203013) is 1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane.
What is the SMILES notation for 1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane?
The canonical SMILES for 1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane is CN(CCCCCO)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane?
The InChIKey is FLANKCKZVONTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-10(2,3)11-16(14,15)12(4)8-6-5-7-9-13/h11,13H,5-9H2,1-4H3.
What are the key properties of 1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane?
1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane has a molecular weight of 252.38 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane is sourced from PubChem (CID 107203013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).