N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide

C20H29N3O4S — CID 129357828

IUPACN-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide
SMILESO=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H29N3O4S/c24-20(16-1-3-18(4-2-16)23-10-12-27-13-11-23)21-17-5-8-22(9-6-17)19-7-14-28(25,26)15-19/h1-4,17,19H,5-15H2,(H,21,24)/t19-/m0/s1
InChIKeyWTLSVKTZPAYHTG-IBGZPJMESA-N
MW407.54 g/mol
LogP0.90
Rot. Bonds4

About N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide

N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide (PubChem CID 129357828) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide
PubChem CID129357828
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC NameN-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide
SMILESO=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H29N3O4S/c24-20(16-1-3-18(4-2-16)23-10-12-27-13-11-23)21-17-5-8-22(9-6-17)19-7-14-28(25,26)15-19/h1-4,17,19H,5-15H2,(H,21,24)/t19-/m0/s1
InChIKeyWTLSVKTZPAYHTG-IBGZPJMESA-N
XLogP0.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]benzoic acid
CID 52983630
N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-morpholin-4-ylbenzamide
CID 42098695
N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide
CID 146249126
(3R)-3-morpholin-4-ylthiolane 1,1-dioxide
CID 7072045
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51128424
2-chloro-N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-5-fluorobenzamide
CID 129357673
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 52517068
N-(1-cyclopropylpiperidin-4-yl)-4-iodobenzamide
CID 60730497
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide
CID 110406991
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide
CID 129357405
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide
CID 7304650

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide (CID 129357828) is N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide is O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide?
The InChIKey is WTLSVKTZPAYHTG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H29N3O4S/c24-20(16-1-3-18(4-2-16)23-10-12-27-13-11-23)21-17-5-8-22(9-6-17)19-7-14-28(25,26)15-19/h1-4,17,19H,5-15H2,(H,21,24)/t19-/m0/s1.
What are the key properties of N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide?
N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide has a molecular weight of 407.54 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 129357828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).