N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide

C15H28N4O4S — CID 113105920

IUPACN-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C15H28N4O4S/c20-15(16-14-1-12-24(21,22)13-14)19-6-4-17(5-7-19)2-3-18-8-10-23-11-9-18/h14H,1-13H2,(H,16,20)
InChIKeyBHTMIYXRCBTVOP-UHFFFAOYSA-N
MW360.48 g/mol
LogP-1.17
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide

N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide (PubChem CID 113105920) has the molecular formula C15H28N4O4S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
PubChem CID113105920
Molecular FormulaC15H28N4O4S
Molecular Weight360.48 g/mol
Exact Mass360.18
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C15H28N4O4S/c20-15(16-14-1-12-24(21,22)13-14)19-6-4-17(5-7-19)2-3-18-8-10-23-11-9-18/h14H,1-13H2,(H,16,20)
InChIKeyBHTMIYXRCBTVOP-UHFFFAOYSA-N
XLogP-1.17
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 51083433
N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994771
N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
CID 47127958
4-[2-(4-chlorophenyl)ethyl]-N-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109681
N-[(3S)-1,1-dioxothiolan-3-yl]azepane-1-carboxamide
CID 2424807
N-(1,1-dioxothiolan-3-yl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109683
4-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113107862
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113160630
N-[(3S)-1,1-dioxothiolan-3-yl]-4-phenylpiperazine-1-carboxamide
CID 94017270
N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 94017304
N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide
CID 115629618
N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959841

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide (CID 113105920) is N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide is O=C(NC1CCS(=O)(=O)C1)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The InChIKey is BHTMIYXRCBTVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O4S/c20-15(16-14-1-12-24(21,22)13-14)19-6-4-17(5-7-19)2-3-18-8-10-23-11-9-18/h14H,1-13H2,(H,16,20).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide has a molecular weight of 360.48 g/mol, XLogP of -1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).