tert-butyl 5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]thiophene-2-carboxylate

C16H26N2O5S2 — CID 86703853

IUPACtert-butyl 5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]thiophene-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(N(CCN2CCOCC2)S(C)(=O)=O)s1
InChIInChI=1S/C16H26N2O5S2/c1-16(2,3)23-15(19)13-5-6-14(24-13)18(25(4,20)21)8-7-17-9-11-22-12-10-17/h5-6H,7-12H2,1-4H3
InChIKeySUMZRQFVNAXFDH-UHFFFAOYSA-N
MW390.53 g/mol
LogP1.80
Rot. Bonds6

About tert-butyl 5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]thiophene-2-carboxylate

tert-butyl 5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]thiophene-2-carboxylate (PubChem CID 86703853) has the molecular formula C16H26N2O5S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is tert-butyl 5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]thiophene-2-carboxylate
PubChem CID86703853
Molecular FormulaC16H26N2O5S2
Molecular Weight390.53 g/mol
Exact Mass390.13
IUPAC Nametert-butyl 5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]thiophene-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(N(CCN2CCOCC2)S(C)(=O)=O)s1
InChIInChI=1S/C16H26N2O5S2/c1-16(2,3)23-15(19)13-5-6-14(24-13)18(25(4,20)21)8-7-17-9-11-22-12-10-17/h5-6H,7-12H2,1-4H3
InChIKeySUMZRQFVNAXFDH-UHFFFAOYSA-N
XLogP1.80
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-acetyloxy-5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]benzoic acid
CID 86720510
N-[3-[[3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]phenyl]disulfanyl]phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 89459867
(2,2,2-trifluoroacetyl) 2-(cyclopropylmethoxy)-4-[methylsulfonyl(2-morpholin-4-ylethyl)amino]benzoate
CID 90187353
tert-butyl 2-[2-morpholin-4-ylethyl-(4-phenylsulfanylphenyl)sulfonylamino]acetate
CID 54351681
2-[5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-2,3-dioxoindol-1-yl]acetic acid
CID 86681742
tert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate
CID 141136668
N-methyl-5-(morpholin-4-ylmethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 123601424
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6494069
tert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate
CID 89358174
tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate
CID 59777100
3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113145905
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113144868

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]thiophene-2-carboxylate?
The IUPAC name of tert-butyl 5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]thiophene-2-carboxylate (CID 86703853) is tert-butyl 5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for tert-butyl 5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]thiophene-2-carboxylate?
The canonical SMILES for tert-butyl 5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]thiophene-2-carboxylate is CC(C)(C)OC(=O)c1ccc(N(CCN2CCOCC2)S(C)(=O)=O)s1.
What is the InChIKey of tert-butyl 5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]thiophene-2-carboxylate?
The InChIKey is SUMZRQFVNAXFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S2/c1-16(2,3)23-15(19)13-5-6-14(24-13)18(25(4,20)21)8-7-17-9-11-22-12-10-17/h5-6H,7-12H2,1-4H3.
What are the key properties of tert-butyl 5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]thiophene-2-carboxylate?
tert-butyl 5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]thiophene-2-carboxylate has a molecular weight of 390.53 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 86703853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).