N-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide

C12H25N3O3S — CID 79711435

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide
SMILESCC1(C)C(N)C(C)(C)C1NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H25N3O3S/c1-11(2)9(13)12(3,4)10(11)14-19(16,17)15-5-7-18-8-6-15/h9-10,14H,5-8,13H2,1-4H3
InChIKeyYWJHXUQKZXYZGB-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.09
Rot. Bonds3

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide (PubChem CID 79711435) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide
PubChem CID79711435
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide
SMILESCC1(C)C(N)C(C)(C)C1NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H25N3O3S/c1-11(2)9(13)12(3,4)10(11)14-19(16,17)15-5-7-18-8-6-15/h9-10,14H,5-8,13H2,1-4H3
InChIKeyYWJHXUQKZXYZGB-UHFFFAOYSA-N
XLogP-0.09
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide (CID 79711435) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide is CC1(C)C(N)C(C)(C)C1NS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide?
The InChIKey is YWJHXUQKZXYZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-11(2)9(13)12(3,4)10(11)14-19(16,17)15-5-7-18-8-6-15/h9-10,14H,5-8,13H2,1-4H3.
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide has a molecular weight of 291.42 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide is sourced from PubChem (CID 79711435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).