3-[(2-methylpropylsulfamoylamino)methyl]cyclobutan-1-ol

C9H20N2O3S — CID 114815720

IUPAC3-[(2-methylpropylsulfamoylamino)methyl]cyclobutan-1-ol
SMILESCC(C)CNS(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C9H20N2O3S/c1-7(2)5-10-15(13,14)11-6-8-3-9(12)4-8/h7-12H,3-6H2,1-2H3
InChIKeyMGPHCUDMEMLQPA-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.16
Rot. Bonds6

About 3-[(2-methylpropylsulfamoylamino)methyl]cyclobutan-1-ol

3-[(2-methylpropylsulfamoylamino)methyl]cyclobutan-1-ol (PubChem CID 114815720) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-[(2-methylpropylsulfamoylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2-methylpropylsulfamoylamino)methyl]cyclobutan-1-ol
PubChem CID114815720
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name3-[(2-methylpropylsulfamoylamino)methyl]cyclobutan-1-ol
SMILESCC(C)CNS(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C9H20N2O3S/c1-7(2)5-10-15(13,14)11-6-8-3-9(12)4-8/h7-12H,3-6H2,1-2H3
InChIKeyMGPHCUDMEMLQPA-UHFFFAOYSA-N
XLogP-0.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol
CID 114809650
[(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate
CID 139354548
methyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate
CID 175569968
3-[[[3-Aminopropyl(methyl)sulfamoyl]-methylamino]methyl]cyclobutan-1-ol
CID 65982934
3-[[[Butyl(methyl)sulfamoyl]-methylamino]methyl]cyclobutan-1-ol
CID 65996187
3-[[Dimethylsulfamoyl(methyl)amino]methyl]cyclobutan-1-ol
CID 65996579
N-[(3-hydroxycyclobutyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 66004186
N-[(3-hydroxycyclobutyl)methyl]propane-1-sulfonamide
CID 66004393
N-[(3-hydroxycyclobutyl)methyl]-2-methylpropane-1-sulfonamide
CID 66004403
1-[[[Butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxycyclobutane
CID 66004612
N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 66005027
N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide
CID 66005043

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropylsulfamoylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[(2-methylpropylsulfamoylamino)methyl]cyclobutan-1-ol (CID 114815720) is 3-[(2-methylpropylsulfamoylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(2-methylpropylsulfamoylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(2-methylpropylsulfamoylamino)methyl]cyclobutan-1-ol is CC(C)CNS(=O)(=O)NCC1CC(O)C1.
What is the InChIKey of 3-[(2-methylpropylsulfamoylamino)methyl]cyclobutan-1-ol?
The InChIKey is MGPHCUDMEMLQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-7(2)5-10-15(13,14)11-6-8-3-9(12)4-8/h7-12H,3-6H2,1-2H3.
What are the key properties of 3-[(2-methylpropylsulfamoylamino)methyl]cyclobutan-1-ol?
3-[(2-methylpropylsulfamoylamino)methyl]cyclobutan-1-ol has a molecular weight of 236.34 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropylsulfamoylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 114815720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).