tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate

C20H31N3O7S2 — CID 45106440

IUPACtert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C20H31N3O7S2/c1-20(2,3)30-19(24)21-16-7-9-22(10-8-16)31(25,26)17-5-4-6-18(15-17)32(27,28)23-11-13-29-14-12-23/h4-6,15-16H,7-14H2,1-3H3,(H,21,24)
InChIKeyVNEPFGXNWFASSY-UHFFFAOYSA-N
MW489.62 g/mol
LogP1.39
Rot. Bonds5

About tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate

tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate (PubChem CID 45106440) has the molecular formula C20H31N3O7S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate
PubChem CID45106440
Molecular FormulaC20H31N3O7S2
Molecular Weight489.62 g/mol
Exact Mass489.16
IUPAC Nametert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C20H31N3O7S2/c1-20(2,3)30-19(24)21-16-7-9-22(10-8-16)31(25,26)17-5-4-6-18(15-17)32(27,28)23-11-13-29-14-12-23/h4-6,15-16H,7-14H2,1-3H3,(H,21,24)
InChIKeyVNEPFGXNWFASSY-UHFFFAOYSA-N
XLogP1.39
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
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tert-butyl N-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]carbamate
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tert-butyl N-[1-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]sulfonylpiperidin-4-yl]carbamate
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tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate
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2-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylbenzoic acid
CID 71060123
tert-butyl N-[1-[4-(methylamino)phenyl]sulfonylpiperidin-4-yl]carbamate
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tert-butyl N-[1-[3-bromo-4-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbamate
CID 177048691
tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate
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4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799
N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide
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tert-butyl N-[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbamate
CID 55736897

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate (CID 45106440) is tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1.
What is the InChIKey of tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate?
The InChIKey is VNEPFGXNWFASSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O7S2/c1-20(2,3)30-19(24)21-16-7-9-22(10-8-16)31(25,26)17-5-4-6-18(15-17)32(27,28)23-11-13-29-14-12-23/h4-6,15-16H,7-14H2,1-3H3,(H,21,24).
What are the key properties of tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate?
tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate has a molecular weight of 489.62 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate is sourced from PubChem (CID 45106440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).