(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide

C17H33N3O2S — CID 96995680

IUPAC(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide
SMILESCCN(C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[S@@](=O)CC)C1
InChIInChI=1S/C17H33N3O2S/c1-4-19(3)12-14-10-11-20(13-14)17(21)18-15-8-6-7-9-16(15)23(22)5-2/h14-16H,4-13H2,1-3H3,(H,18,21)/t14-,15+,16-,23-/m0/s1
InChIKeyJUFOQAKCXWDRMY-KATBDVFWSA-N
MW343.54 g/mol
LogP2.05
Rot. Bonds6

About (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide

(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide (PubChem CID 96995680) has the molecular formula C17H33N3O2S and a molecular weight of 343.54 g/mol. Its IUPAC name is (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide
PubChem CID96995680
Molecular FormulaC17H33N3O2S
Molecular Weight343.54 g/mol
Exact Mass343.23
IUPAC Name(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide
SMILESCCN(C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[S@@](=O)CC)C1
InChIInChI=1S/C17H33N3O2S/c1-4-19(3)12-14-10-11-20(13-14)17(21)18-15-8-6-7-9-16(15)23(22)5-2/h14-16H,4-13H2,1-3H3,(H,18,21)/t14-,15+,16-,23-/m0/s1
InChIKeyJUFOQAKCXWDRMY-KATBDVFWSA-N
XLogP2.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide
CID 71923151
(3R)-N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide
CID 124840665
(3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide
CID 96995662
N-(2-ethylsulfinylcyclohexyl)-3-hydroxypiperidine-1-carboxamide
CID 71923149
(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide
CID 95786491
1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111540756
N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide
CID 110016149
3-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 124856157
(3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide
CID 95786677
1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea
CID 75377549
(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 97028218
N-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111841200

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide (CID 96995680) is (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide is CCN(C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[S@@](=O)CC)C1.
What is the InChIKey of (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide?
The InChIKey is JUFOQAKCXWDRMY-KATBDVFWSA-N. The full InChI is InChI=1S/C17H33N3O2S/c1-4-19(3)12-14-10-11-20(13-14)17(21)18-15-8-6-7-9-16(15)23(22)5-2/h14-16H,4-13H2,1-3H3,(H,18,21)/t14-,15+,16-,23-/m0/s1.
What are the key properties of (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide?
(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide has a molecular weight of 343.54 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 96995680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).