tert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)amino]thiophen-2-yl]carbamate

C14H18ClN3O4S — CID 167247841

IUPACtert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)amino]thiophen-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1sc(Cl)cc1NC1CCC(=O)NC1=O
InChIInChI=1S/C14H18ClN3O4S/c1-14(2,3)22-13(21)18-12-8(6-9(15)23-12)16-7-4-5-10(19)17-11(7)20/h6-7,16H,4-5H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeySOGKMHVJYOWGQV-UHFFFAOYSA-N
MW359.84 g/mol
LogP2.97
Rot. Bonds3

About tert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)amino]thiophen-2-yl]carbamate

tert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)amino]thiophen-2-yl]carbamate (PubChem CID 167247841) has the molecular formula C14H18ClN3O4S and a molecular weight of 359.84 g/mol. Its IUPAC name is tert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)amino]thiophen-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)amino]thiophen-2-yl]carbamate
PubChem CID167247841
Molecular FormulaC14H18ClN3O4S
Molecular Weight359.84 g/mol
Exact Mass359.07
IUPAC Nametert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)amino]thiophen-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1sc(Cl)cc1NC1CCC(=O)NC1=O
InChIInChI=1S/C14H18ClN3O4S/c1-14(2,3)22-13(21)18-12-8(6-9(15)23-12)16-7-4-5-10(19)17-11(7)20/h6-7,16H,4-5H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeySOGKMHVJYOWGQV-UHFFFAOYSA-N
XLogP2.97
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(3R,4S)-1-acetyl-4-[[2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetyl]amino]piperidin-3-yl]carbamate
CID 11964718
tert-butyl N-[(3R,4S)-4-[[2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetyl]amino]-1-formylpiperidin-3-yl]carbamate
CID 57876438
tert-butyl N-[(3R)-4-[[2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetyl]amino]-1-formylpiperidin-3-yl]carbamate
CID 143305495
tert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]carbamate
CID 156408715
N-(5-chlorothiophen-2-yl)-N-(2,6-dioxopiperidin-3-yl)pentanamide
CID 156408855
3-[(5-Chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione
CID 175831682

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)amino]thiophen-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)amino]thiophen-2-yl]carbamate (CID 167247841) is tert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)amino]thiophen-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)amino]thiophen-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)amino]thiophen-2-yl]carbamate is CC(C)(C)OC(=O)Nc1sc(Cl)cc1NC1CCC(=O)NC1=O.
What is the InChIKey of tert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)amino]thiophen-2-yl]carbamate?
The InChIKey is SOGKMHVJYOWGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O4S/c1-14(2,3)22-13(21)18-12-8(6-9(15)23-12)16-7-4-5-10(19)17-11(7)20/h6-7,16H,4-5H2,1-3H3,(H,18,21)(H,17,19,20).
What are the key properties of tert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)amino]thiophen-2-yl]carbamate?
tert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)amino]thiophen-2-yl]carbamate has a molecular weight of 359.84 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)amino]thiophen-2-yl]carbamate is sourced from PubChem (CID 167247841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).