N-[(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]cyclohexanecarboxamide

C17H27N3O4S — CID 68874937

IUPACN-[(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]cyclohexanecarboxamide
SMILESCc1noc(C)c1S(=O)(=O)[C@@]1(NC(=O)C2CCCCC2)CCCNC1
InChIInChI=1S/C17H27N3O4S/c1-12-15(13(2)24-20-12)25(22,23)17(9-6-10-18-11-17)19-16(21)14-7-4-3-5-8-14/h14,18H,3-11H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyFXXHHDMZVRGDOL-KRWDZBQOSA-N
MW369.49 g/mol
LogP1.84
Rot. Bonds4

About N-[(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]cyclohexanecarboxamide

N-[(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]cyclohexanecarboxamide (PubChem CID 68874937) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]cyclohexanecarboxamide
PubChem CID68874937
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-[(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]cyclohexanecarboxamide
SMILESCc1noc(C)c1S(=O)(=O)[C@@]1(NC(=O)C2CCCCC2)CCCNC1
InChIInChI=1S/C17H27N3O4S/c1-12-15(13(2)24-20-12)25(22,23)17(9-6-10-18-11-17)19-16(21)14-7-4-3-5-8-14/h14,18H,3-11H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyFXXHHDMZVRGDOL-KRWDZBQOSA-N
XLogP1.84
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]cyclohexanecarboxamide (CID 68874937) is N-[(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]cyclohexanecarboxamide is Cc1noc(C)c1S(=O)(=O)[C@@]1(NC(=O)C2CCCCC2)CCCNC1.
What is the InChIKey of N-[(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]cyclohexanecarboxamide?
The InChIKey is FXXHHDMZVRGDOL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-12-15(13(2)24-20-12)25(22,23)17(9-6-10-18-11-17)19-16(21)14-7-4-3-5-8-14/h14,18H,3-11H2,1-2H3,(H,19,21)/t17-/m0/s1.
What are the key properties of N-[(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]cyclohexanecarboxamide?
N-[(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]cyclohexanecarboxamide has a molecular weight of 369.49 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 68874937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).