N-[(2R,3S)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide

C19H29FN2O3S — CID 130310088

IUPACN-[(2R,3S)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN[C@H]1COC1CCC(c2cccc(F)c2)CC1
InChIInChI=1S/C19H29FN2O3S/c1-26(23,24)22-18-6-3-11-21-19(18)13-25-17-9-7-14(8-10-17)15-4-2-5-16(20)12-15/h2,4-5,12,14,17-19,21-22H,3,6-11,13H2,1H3/t14?,17?,18-,19-/m0/s1
InChIKeyZCWZWZYQZABHDJ-OTQHQDGKSA-N
MW384.52 g/mol
LogP2.54
Rot. Bonds6

About N-[(2R,3S)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide

N-[(2R,3S)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide (PubChem CID 130310088) has the molecular formula C19H29FN2O3S and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[(2R,3S)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
PubChem CID130310088
Molecular FormulaC19H29FN2O3S
Molecular Weight384.52 g/mol
Exact Mass384.19
IUPAC NameN-[(2R,3S)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN[C@H]1COC1CCC(c2cccc(F)c2)CC1
InChIInChI=1S/C19H29FN2O3S/c1-26(23,24)22-18-6-3-11-21-19(18)13-25-17-9-7-14(8-10-17)15-4-2-5-16(20)12-15/h2,4-5,12,14,17-19,21-22H,3,6-11,13H2,1H3/t14?,17?,18-,19-/m0/s1
InChIKeyZCWZWZYQZABHDJ-OTQHQDGKSA-N
XLogP2.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2R,3S)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide (CID 130310088) is N-[(2R,3S)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R,3S)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2R,3S)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCCN[C@H]1COC1CCC(c2cccc(F)c2)CC1.
What is the InChIKey of N-[(2R,3S)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is ZCWZWZYQZABHDJ-OTQHQDGKSA-N. The full InChI is InChI=1S/C19H29FN2O3S/c1-26(23,24)22-18-6-3-11-21-19(18)13-25-17-9-7-14(8-10-17)15-4-2-5-16(20)12-15/h2,4-5,12,14,17-19,21-22H,3,6-11,13H2,1H3/t14?,17?,18-,19-/m0/s1.
What are the key properties of N-[(2R,3S)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide?
N-[(2R,3S)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 384.52 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 130310088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).