tert-butyl N-[1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylamino]-1-oxopropan-2-yl]carbamate

C17H27N3O6S2 — CID 55561470

IUPACtert-butyl N-[1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylamino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C17H27N3O6S2/c1-12(19-16(22)26-17(2,3)4)15(21)18-11-13-5-6-14(27-13)28(23,24)20-7-9-25-10-8-20/h5-6,12H,7-11H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyGYPRRGWSUGHRBY-UHFFFAOYSA-N
MW433.55 g/mol
LogP1.30
Rot. Bonds6

About tert-butyl N-[1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylamino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 55561470) has the molecular formula C17H27N3O6S2 and a molecular weight of 433.55 g/mol. Its IUPAC name is tert-butyl N-[1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylamino]-1-oxopropan-2-yl]carbamate
PubChem CID55561470
Molecular FormulaC17H27N3O6S2
Molecular Weight433.55 g/mol
Exact Mass433.13
IUPAC Nametert-butyl N-[1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylamino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C17H27N3O6S2/c1-12(19-16(22)26-17(2,3)4)15(21)18-11-13-5-6-14(27-13)28(23,24)20-7-9-25-10-8-20/h5-6,12H,7-11H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyGYPRRGWSUGHRBY-UHFFFAOYSA-N
XLogP1.30
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylamino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylamino]-1-oxopropan-2-yl]carbamate (CID 55561470) is tert-butyl N-[1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylamino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylamino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylamino]-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of tert-butyl N-[1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylamino]-1-oxopropan-2-yl]carbamate?
The InChIKey is GYPRRGWSUGHRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O6S2/c1-12(19-16(22)26-17(2,3)4)15(21)18-11-13-5-6-14(27-13)28(23,24)20-7-9-25-10-8-20/h5-6,12H,7-11H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of tert-butyl N-[1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylamino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 433.55 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 55561470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).