N-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide

C17H27N3O4S — CID 97348611

IUPACN-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide
SMILESCc1noc(C)c1C[C@H](C)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C17H27N3O4S/c1-11(8-16-12(2)18-24-13(16)3)17(21)20-9-15(10-20)25(22,23)19-14-6-4-5-7-14/h11,14-15,19H,4-10H2,1-3H3/t11-/m0/s1
InChIKeySDMWCSUOBACCRG-NSHDSACASA-N
MW369.49 g/mol
LogP1.54
Rot. Bonds6

About N-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide

N-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide (PubChem CID 97348611) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide
PubChem CID97348611
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide
SMILESCc1noc(C)c1C[C@H](C)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C17H27N3O4S/c1-11(8-16-12(2)18-24-13(16)3)17(21)20-9-15(10-20)25(22,23)19-14-6-4-5-7-14/h11,14-15,19H,4-10H2,1-3H3/t11-/m0/s1
InChIKeySDMWCSUOBACCRG-NSHDSACASA-N
XLogP1.54
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide?
The IUPAC name of N-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide (CID 97348611) is N-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide?
The canonical SMILES for N-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide is Cc1noc(C)c1C[C@H](C)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide?
The InChIKey is SDMWCSUOBACCRG-NSHDSACASA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-11(8-16-12(2)18-24-13(16)3)17(21)20-9-15(10-20)25(22,23)19-14-6-4-5-7-14/h11,14-15,19H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of N-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide?
N-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide is sourced from PubChem (CID 97348611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).