3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide

C19H29N3OS — CID 100681580

IUPAC3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC2CCN([C@H]3CCSC3)CC2)c1
InChIInChI=1S/C19H29N3OS/c1-21(2)17-5-3-4-16(12-17)19(23)20-13-15-6-9-22(10-7-15)18-8-11-24-14-18/h3-5,12,15,18H,6-11,13-14H2,1-2H3,(H,20,23)/t18-/m0/s1
InChIKeyTWJISPXRLTVYTI-SFHVURJKSA-N
MW347.53 g/mol
LogP2.70
Rot. Bonds5

About 3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide

3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide (PubChem CID 100681580) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide
PubChem CID100681580
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC Name3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC2CCN([C@H]3CCSC3)CC2)c1
InChIInChI=1S/C19H29N3OS/c1-21(2)17-5-3-4-16(12-17)19(23)20-13-15-6-9-22(10-7-15)18-8-11-24-14-18/h3-5,12,15,18H,6-11,13-14H2,1-2H3,(H,20,23)/t18-/m0/s1
InChIKeyTWJISPXRLTVYTI-SFHVURJKSA-N
XLogP2.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(thian-4-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzamide
CID 91814223
N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 100682756
N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide
CID 66006240
3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide
CID 91814088
3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
CID 94200759
3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
CID 47179453
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(dimethylamino)benzamide
CID 72716920
2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
CID 100681734
4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide
CID 146078077
N'-(2-methylsulfanylphenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]oxamide
CID 100684012
5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 100682683
N'-(1-phenylethyl)-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]oxamide
CID 91624154

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide (CID 100681580) is 3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide is CN(C)c1cccc(C(=O)NCC2CCN([C@H]3CCSC3)CC2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide?
The InChIKey is TWJISPXRLTVYTI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29N3OS/c1-21(2)17-5-3-4-16(12-17)19(23)20-13-15-6-9-22(10-7-15)18-8-11-24-14-18/h3-5,12,15,18H,6-11,13-14H2,1-2H3,(H,20,23)/t18-/m0/s1.
What are the key properties of 3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide?
3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide has a molecular weight of 347.53 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 100681580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).