N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide

C21H30FN3O3S — CID 25205249

IUPACN-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(CCN2CCC(c3noc4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C21H30FN3O3S/c1-29(26,27)24-18-5-2-15(3-6-18)8-11-25-12-9-16(10-13-25)21-19-14-17(22)4-7-20(19)28-23-21/h4,7,14-16,18,24H,2-3,5-6,8-13H2,1H3
InChIKeyMPTVODVQFOZFHF-UHFFFAOYSA-N
MW423.55 g/mol
LogP3.64
Rot. Bonds6

About N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide

N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide (PubChem CID 25205249) has the molecular formula C21H30FN3O3S and a molecular weight of 423.55 g/mol. Its IUPAC name is N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide
PubChem CID25205249
Molecular FormulaC21H30FN3O3S
Molecular Weight423.55 g/mol
Exact Mass423.20
IUPAC NameN-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(CCN2CCC(c3noc4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C21H30FN3O3S/c1-29(26,27)24-18-5-2-15(3-6-18)8-11-25-12-9-16(10-13-25)21-19-14-17(22)4-7-20(19)28-23-21/h4,7,14-16,18,24H,2-3,5-6,8-13H2,1H3
InChIKeyMPTVODVQFOZFHF-UHFFFAOYSA-N
XLogP3.64
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide
CID 25206710
4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine
CID 25206209
2-(3,5-dimethoxyphenyl)-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 25206541
1-[4-(dimethylamino)phenyl]-2-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanone
CID 146783571
N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-1,3-benzodioxole-5-carboxamide
CID 25206707
N-[4-[2-[4-(5,6-difluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide
CID 25205584
5-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 140972227
2-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-1-(4-pyrrol-1-ylphenyl)ethanone
CID 147734047
N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide
CID 70905295
4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(sulfamoylamino)cyclohexyl]ethyl]piperidine
CID 23029499
N-ethyl-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine;dihydrochloride
CID 156540523
4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride
CID 67232053

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide (CID 25205249) is N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCC(CCN2CCC(c3noc4ccc(F)cc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide?
The InChIKey is MPTVODVQFOZFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O3S/c1-29(26,27)24-18-5-2-15(3-6-18)8-11-25-12-9-16(10-13-25)21-19-14-17(22)4-7-20(19)28-23-21/h4,7,14-16,18,24H,2-3,5-6,8-13H2,1H3.
What are the key properties of N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide?
N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide has a molecular weight of 423.55 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 25205249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).