tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate

C19H29N3O6S2 — CID 55736034

IUPACtert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H29N3O6S2/c1-19(2,3)28-18(24)20-14-4-7-21(8-5-14)17(23)16-15(6-13-29-16)30(25,26)22-9-11-27-12-10-22/h6,13-14H,4-5,7-12H2,1-3H3,(H,20,24)
InChIKeyXRUGGVHGWKEPSB-UHFFFAOYSA-N
MW459.59 g/mol
LogP1.90
Rot. Bonds4

About tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate (PubChem CID 55736034) has the molecular formula C19H29N3O6S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate
PubChem CID55736034
Molecular FormulaC19H29N3O6S2
Molecular Weight459.59 g/mol
Exact Mass459.15
IUPAC Nametert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H29N3O6S2/c1-19(2,3)28-18(24)20-14-4-7-21(8-5-14)17(23)16-15(6-13-29-16)30(25,26)22-9-11-27-12-10-22/h6,13-14H,4-5,7-12H2,1-3H3,(H,20,24)
InChIKeyXRUGGVHGWKEPSB-UHFFFAOYSA-N
XLogP1.90
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 4-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]piperidine-1-carboxylate
CID 55985527
tert-butyl N-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]carbamate
CID 55973425
tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 45106440
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
CID 55519032
tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate
CID 71634241
3-morpholin-4-ylsulfonyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386595
(2,4-dimethylphenyl)-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 31829879
1,4-diazepan-1-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119414929
3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 55535803
3,4-dihydro-1H-isoquinolin-2-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
CID 51284581
tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
CID 46318295
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 119455908

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate (CID 55736034) is tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is XRUGGVHGWKEPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O6S2/c1-19(2,3)28-18(24)20-14-4-7-21(8-5-14)17(23)16-15(6-13-29-16)30(25,26)22-9-11-27-12-10-22/h6,13-14H,4-5,7-12H2,1-3H3,(H,20,24).
What are the key properties of tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 459.59 g/mol, XLogP of 1.90, 4 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-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 55736034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).