N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide

C8H17NO5S2 — CID 114631588

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C8H17NO5S2/c1-8(2)6(4-7(8)10)9-16(13,14)5-15(3,11)12/h6-7,9-10H,4-5H2,1-3H3
InChIKeyLHNDUWKGSBJDOC-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.93
Rot. Bonds4

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide (PubChem CID 114631588) has the molecular formula C8H17NO5S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide
PubChem CID114631588
Molecular FormulaC8H17NO5S2
Molecular Weight271.36 g/mol
Exact Mass271.05
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C8H17NO5S2/c1-8(2)6(4-7(8)10)9-16(13,14)5-15(3,11)12/h6-7,9-10H,4-5H2,1-3H3
InChIKeyLHNDUWKGSBJDOC-UHFFFAOYSA-N
XLogP-0.93
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
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
1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631615
1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114628418
2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol
CID 164648426
2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide
CID 114628522
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 114628526
2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)cyclobutan-1-ol
CID 114809878
N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidine-1-sulfonamide
CID 114631638
methyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate
CID 114631654
3-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoylmethyl]benzoic acid
CID 114628915
N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide
CID 103952149

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide (CID 114631588) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide is CC1(C)C(O)CC1NS(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide?
The InChIKey is LHNDUWKGSBJDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S2/c1-8(2)6(4-7(8)10)9-16(13,14)5-15(3,11)12/h6-7,9-10H,4-5H2,1-3H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide has a molecular weight of 271.36 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 114631588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).