N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C17H29N3O3S — CID 56882966

IUPACN-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H]1CC[C@H]1NC1CCCCCCC1
InChIInChI=1S/C17H29N3O3S/c1-12-17(13(2)23-19-12)24(21,22)20-16-11-10-15(16)18-14-8-6-4-3-5-7-9-14/h14-16,18,20H,3-11H2,1-2H3/t15-,16+/m1/s1
InChIKeyVABXCWQLXHFXKK-CVEARBPZSA-N
MW355.50 g/mol
LogP2.80
Rot. Bonds5

About N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 56882966) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID56882966
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC NameN-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H]1CC[C@H]1NC1CCCCCCC1
InChIInChI=1S/C17H29N3O3S/c1-12-17(13(2)23-19-12)24(21,22)20-16-11-10-15(16)18-14-8-6-4-3-5-7-9-14/h14-16,18,20H,3-11H2,1-2H3/t15-,16+/m1/s1
InChIKeyVABXCWQLXHFXKK-CVEARBPZSA-N
XLogP2.80
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 95984012
N-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106367635
3,5-dimethyl-N-(3-methylcyclopentyl)-1,2-oxazole-4-sulfonamide
CID 114545207
N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106737884
N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113038928
N-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide
CID 3244992
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113065877
3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide
CID 91626338
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762749
N-cyclohexyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2814174
3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide
CID 71689746
N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 162872561

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 56882966) is N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@H]1CC[C@H]1NC1CCCCCCC1.
What is the InChIKey of N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is VABXCWQLXHFXKK-CVEARBPZSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-12-17(13(2)23-19-12)24(21,22)20-16-11-10-15(16)18-14-8-6-4-3-5-7-9-14/h14-16,18,20H,3-11H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 355.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 56882966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).