methyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate

C8H16N2O5S — CID 114631654

IUPACmethyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C8H16N2O5S/c1-8(2)5(4-6(8)11)9-16(13,14)10-7(12)15-3/h5-6,9,11H,4H2,1-3H3,(H,10,12)
InChIKeyGLTLYDFBVDCVQP-UHFFFAOYSA-N
MW252.29 g/mol
LogP-0.66
Rot. Bonds3

About methyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate

methyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate (PubChem CID 114631654) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is methyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate
PubChem CID114631654
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Namemethyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C8H16N2O5S/c1-8(2)5(4-6(8)11)9-16(13,14)10-7(12)15-3/h5-6,9,11H,4H2,1-3H3,(H,10,12)
InChIKeyGLTLYDFBVDCVQP-UHFFFAOYSA-N
XLogP-0.66
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-1,1-dimethyl-4-(sulfamoylamino)cyclobutane
CID 114632810
N-(3-hydroxy-2,2-dimethylcyclobutyl)propane-2-sulfonamide
CID 114631535
propan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate
CID 114632202
2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)cyclobutan-1-ol
CID 114809878
2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol
CID 164648426
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide
CID 114631588
N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidine-1-sulfonamide
CID 114631638
3-(methoxyamino)-2,2-dimethylcyclobutan-1-ol
CID 112634239
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
CID 114629375
2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631595
methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate
CID 103948463
4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 107327543

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate (CID 114631654) is methyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate is COC(=O)NS(=O)(=O)NC1CC(O)C1(C)C.
What is the InChIKey of methyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate?
The InChIKey is GLTLYDFBVDCVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5S/c1-8(2)5(4-6(8)11)9-16(13,14)10-7(12)15-3/h5-6,9,11H,4H2,1-3H3,(H,10,12).
What are the key properties of methyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate?
methyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate has a molecular weight of 252.29 g/mol, XLogP of -0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate is sourced from PubChem (CID 114631654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).