4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide

C16H25N3O3S — CID 97026922

IUPAC4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide
SMILESCC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H25N3O3S/c1-3-13-11-19(23(2,21)22)9-8-15(13)18-10-12-4-6-14(7-5-12)16(17)20/h4-7,13,15,18H,3,8-11H2,1-2H3,(H2,17,20)/t13-,15-/m0/s1
InChIKeyVHKZXASMDVYUCH-ZFWWWQNUSA-N
MW339.46 g/mol
LogP0.94
Rot. Bonds6

About 4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide

4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide (PubChem CID 97026922) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide
PubChem CID97026922
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide
SMILESCC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H25N3O3S/c1-3-13-11-19(23(2,21)22)9-8-15(13)18-10-12-4-6-14(7-5-12)16(17)20/h4-7,13,15,18H,3,8-11H2,1-2H3,(H2,17,20)/t13-,15-/m0/s1
InChIKeyVHKZXASMDVYUCH-ZFWWWQNUSA-N
XLogP0.94
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-3-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 97026929
[5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol
CID 124743357
(3R,4R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethyl-1-methylsulfonylpiperidin-4-amine
CID 124740462
4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]benzamide
CID 43180262
1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone
CID 96996485
3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 71927317
(3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
CID 98772907
cyclopropyl-[(3S,4S)-3-ethyl-4-(pyridin-4-ylmethylamino)piperidin-1-yl]methanone
CID 97097572
N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081285
4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide
CID 60932416
(3R,4S)-3-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 98785267
4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579759

Frequently Asked Questions

What is the IUPAC name of 4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide?
The IUPAC name of 4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide (CID 97026922) is 4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide?
The canonical SMILES for 4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide is CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide?
The InChIKey is VHKZXASMDVYUCH-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-13-11-19(23(2,21)22)9-8-15(13)18-10-12-4-6-14(7-5-12)16(17)20/h4-7,13,15,18H,3,8-11H2,1-2H3,(H2,17,20)/t13-,15-/m0/s1.
What are the key properties of 4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide?
4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide has a molecular weight of 339.46 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(3S,4S)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]benzamide is sourced from PubChem (CID 97026922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).