1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane

C9H22N2O3S — CID 66108866

IUPAC1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane
SMILESCCN(CC)S(=O)(=O)NCC(C)CCO
InChIInChI=1S/C9H22N2O3S/c1-4-11(5-2)15(13,14)10-8-9(3)6-7-12/h9-10,12H,4-8H2,1-3H3
InChIKeyPETYDLBCMPCGJL-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.18
Rot. Bonds8

About 1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane

1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane (PubChem CID 66108866) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane.

Molecular Properties

Compound Name1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane
PubChem CID66108866
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane
SMILESCCN(CC)S(=O)(=O)NCC(C)CCO
InChIInChI=1S/C9H22N2O3S/c1-4-11(5-2)15(13,14)10-8-9(3)6-7-12/h9-10,12H,4-8H2,1-3H3
InChIKeyPETYDLBCMPCGJL-UHFFFAOYSA-N
XLogP0.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-1-[(4-hydroxy-3-methylbutyl)amino]-2-methylbutan-1-ol
CID 175602492
(2S)-2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane
CID 28345849
1-(Dimethylsulfamoylamino)-4-hydroxybutane
CID 28347211
2-(Diethylsulfamoylamino)-1-hydroxy-4-methylpentane
CID 61247110
2-(Diethylsulfamoylamino)-1-hydroxy-2-methylbutane
CID 64557020
1-(Diethylsulfamoylamino)-3-hydroxy-2-methylpropane
CID 65034400
1-(Dipropylsulfamoylamino)-3-hydroxy-2-methylpropane
CID 65034618
1-[[Butyl(methyl)sulfamoyl]amino]-3-hydroxy-2-methylpropane
CID 65034669
1-[[3-Hydroxypropyl(methyl)sulfamoyl]amino]-2,3-dimethylbutane
CID 65734505
4-(hydroxymethyl)-N-(2-methylbutyl)piperidine-1-sulfonamide
CID 65738912
1-[[3-Hydroxypropyl(methyl)sulfamoyl]amino]-2-methylbutane
CID 65740271
N-ethyl-4-(hydroxymethyl)piperidine-1-sulfonamide
CID 65742423

Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane?
The IUPAC name of 1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane (CID 66108866) is 1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane.
What is the SMILES notation for 1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane?
The canonical SMILES for 1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane is CCN(CC)S(=O)(=O)NCC(C)CCO.
What is the InChIKey of 1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane?
The InChIKey is PETYDLBCMPCGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-4-11(5-2)15(13,14)10-8-9(3)6-7-12/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane?
1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane has a molecular weight of 238.35 g/mol, XLogP of 0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane is sourced from PubChem (CID 66108866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).