(3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide

C15H22FN3O3S — CID 94179451

IUPAC(3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1cccc(F)c1
InChIInChI=1S/C15H22FN3O3S/c1-11(12-5-3-6-13(16)9-12)17-15(20)19-8-4-7-14(10-19)18-23(2,21)22/h3,5-6,9,11,14,18H,4,7-8,10H2,1-2H3,(H,17,20)/t11-,14-/m0/s1
InChIKeyYWKGUKNATRHWMY-FZMZJTMJSA-N
MW343.42 g/mol
LogP1.61
Rot. Bonds4

About (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide

(3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide (PubChem CID 94179451) has the molecular formula C15H22FN3O3S and a molecular weight of 343.42 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide
PubChem CID94179451
Molecular FormulaC15H22FN3O3S
Molecular Weight343.42 g/mol
Exact Mass343.14
IUPAC Name(3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1cccc(F)c1
InChIInChI=1S/C15H22FN3O3S/c1-11(12-5-3-6-13(16)9-12)17-15(20)19-8-4-7-14(10-19)18-23(2,21)22/h3,5-6,9,11,14,18H,4,7-8,10H2,1-2H3,(H,17,20)/t11-,14-/m0/s1
InChIKeyYWKGUKNATRHWMY-FZMZJTMJSA-N
XLogP1.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide
CID 115575913
(3S)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 52504309
N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 71939059
3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
CID 126773299
N-[1-[(E)-3-(3-fluorophenyl)but-2-enoyl]pyrrolidin-3-yl]methanesulfonamide
CID 132969892
2-(cyclopentylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366185
3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 110894959
N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 95304010
1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 51083881
1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 42907119
N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide
CID 129323229
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide (CID 94179451) is (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide is C[C@H](NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1cccc(F)c1.
What is the InChIKey of (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The InChIKey is YWKGUKNATRHWMY-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H22FN3O3S/c1-11(12-5-3-6-13(16)9-12)17-15(20)19-8-4-7-14(10-19)18-23(2,21)22/h3,5-6,9,11,14,18H,4,7-8,10H2,1-2H3,(H,17,20)/t11-,14-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
(3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide is sourced from PubChem (CID 94179451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).