tert-butyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)piperidine-1-carboxylate

C15H23ClN2O5S2 — CID 22500714

IUPACtert-butyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CO)(NS(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C15H23ClN2O5S2/c1-14(2,3)23-13(20)18-8-6-15(10-19,7-9-18)17-25(21,22)12-5-4-11(16)24-12/h4-5,17,19H,6-10H2,1-3H3
InChIKeyRGGGSPLXZRWPDA-UHFFFAOYSA-N
MW410.95 g/mol
LogP2.44
Rot. Bonds4

About tert-butyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 22500714) has the molecular formula C15H23ClN2O5S2 and a molecular weight of 410.95 g/mol. Its IUPAC name is tert-butyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID22500714
Molecular FormulaC15H23ClN2O5S2
Molecular Weight410.95 g/mol
Exact Mass410.07
IUPAC Nametert-butyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CO)(NS(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C15H23ClN2O5S2/c1-14(2,3)23-13(20)18-8-6-15(10-19,7-9-18)17-25(21,22)12-5-4-11(16)24-12/h4-5,17,19H,6-10H2,1-3H3
InChIKeyRGGGSPLXZRWPDA-UHFFFAOYSA-N
XLogP2.44
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 146249261
tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate
CID 20664724
N-[1-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 55082164
tert-butyl 3-[(2-chloroacetyl)amino]-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 175365858
tert-butyl 4-fluoro-4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
CID 22248402
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 2815498
5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide
CID 66930235
tert-butyl 4-formyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 130743558
tert-butyl 4-benzyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 20664723
tert-butyl 4-(aminomethyl)-4-(hydroxymethyl)piperidine-1-carboxylate;hydrochloride
CID 146082065
tert-butyl 4-(hydroxymethyl)-4-phenylsulfanylpiperidine-1-carboxylate
CID 20664727
tert-butyl 4-methyl-4-[[2-(4-methylsulfonylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 141491131

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)piperidine-1-carboxylate (CID 22500714) is tert-butyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CO)(NS(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of tert-butyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is RGGGSPLXZRWPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O5S2/c1-14(2,3)23-13(20)18-8-6-15(10-19,7-9-18)17-25(21,22)12-5-4-11(16)24-12/h4-5,17,19H,6-10H2,1-3H3.
What are the key properties of tert-butyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)piperidine-1-carboxylate?
tert-butyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 410.95 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 22500714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).