N-[1-[4-ethyl-5-(4-phenylpiperidin-1-yl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide

C18H27N5O2S — CID 154833723

IUPACN-[1-[4-ethyl-5-(4-phenylpiperidin-1-yl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide
SMILESCCn1c(C(C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H27N5O2S/c1-4-23-17(14(2)21-26(3,24)25)19-20-18(23)22-12-10-16(11-13-22)15-8-6-5-7-9-15/h5-9,14,16,21H,4,10-13H2,1-3H3
InChIKeyDLHJYRKVVZTBJX-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.29
Rot. Bonds6

About N-[1-[4-ethyl-5-(4-phenylpiperidin-1-yl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide

N-[1-[4-ethyl-5-(4-phenylpiperidin-1-yl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide (PubChem CID 154833723) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[1-[4-ethyl-5-(4-phenylpiperidin-1-yl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-ethyl-5-(4-phenylpiperidin-1-yl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide
PubChem CID154833723
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC NameN-[1-[4-ethyl-5-(4-phenylpiperidin-1-yl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide
SMILESCCn1c(C(C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H27N5O2S/c1-4-23-17(14(2)21-26(3,24)25)19-20-18(23)22-12-10-16(11-13-22)15-8-6-5-7-9-15/h5-9,14,16,21H,4,10-13H2,1-3H3
InChIKeyDLHJYRKVVZTBJX-UHFFFAOYSA-N
XLogP2.29
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide
CID 141081664
2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid
CID 61457828
N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide
CID 123168932
4-methyl-5-(4-phenylazepan-1-yl)-1,2,4-triazole-3-carboxamide
CID 167811448
2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide
CID 56783962
1-tert-butylsulfonyl-4-phenylpiperidine
CID 20680839
1-(chloromethylsulfonyl)-4-phenylpiperidine
CID 63664113
N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115889867
N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine
CID 21051144
N-[[5-(3-phenylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106960239
N-[(3R,4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanesulfonamide
CID 167125884
2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-phenylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 71534546

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-ethyl-5-(4-phenylpiperidin-1-yl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[1-[4-ethyl-5-(4-phenylpiperidin-1-yl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide (CID 154833723) is N-[1-[4-ethyl-5-(4-phenylpiperidin-1-yl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-ethyl-5-(4-phenylpiperidin-1-yl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[1-[4-ethyl-5-(4-phenylpiperidin-1-yl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide is CCn1c(C(C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[1-[4-ethyl-5-(4-phenylpiperidin-1-yl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide?
The InChIKey is DLHJYRKVVZTBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-4-23-17(14(2)21-26(3,24)25)19-20-18(23)22-12-10-16(11-13-22)15-8-6-5-7-9-15/h5-9,14,16,21H,4,10-13H2,1-3H3.
What are the key properties of N-[1-[4-ethyl-5-(4-phenylpiperidin-1-yl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide?
N-[1-[4-ethyl-5-(4-phenylpiperidin-1-yl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-ethyl-5-(4-phenylpiperidin-1-yl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 154833723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).