tert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate

C15H23ClN2O4S2 — CID 126850171

IUPACtert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H23ClN2O4S2/c1-15(2,3)22-14(19)17-10-11-6-4-5-9-18(11)24(20,21)13-8-7-12(16)23-13/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeySHJPIHIFWHPAOC-UHFFFAOYSA-N
MW394.95 g/mol
LogP3.47
Rot. Bonds4

About tert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate

tert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate (PubChem CID 126850171) has the molecular formula C15H23ClN2O4S2 and a molecular weight of 394.95 g/mol. Its IUPAC name is tert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate
PubChem CID126850171
Molecular FormulaC15H23ClN2O4S2
Molecular Weight394.95 g/mol
Exact Mass394.08
IUPAC Nametert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H23ClN2O4S2/c1-15(2,3)22-14(19)17-10-11-6-4-5-9-18(11)24(20,21)13-8-7-12(16)23-13/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeySHJPIHIFWHPAOC-UHFFFAOYSA-N
XLogP3.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316543
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
CID 19682804
tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate
CID 59478990
tert-butyl N-[[(2R)-1-[3-(bromomethyl)phenyl]sulfonylpiperidin-2-yl]methyl]carbamate
CID 97174304
tert-butyl N-[[(2R)-1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]carbamate
CID 97174310
tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 83982523
tert-butyl N-[[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate
CID 133397090
tert-butyl N-[[1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate
CID 71632207
tert-butyl N-[[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methyl]carbamate
CID 97174292
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
tert-butyl N-[[1-(6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]carbamate
CID 71632384

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate (CID 126850171) is tert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCCN1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of tert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate?
The InChIKey is SHJPIHIFWHPAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O4S2/c1-15(2,3)22-14(19)17-10-11-6-4-5-9-18(11)24(20,21)13-8-7-12(16)23-13/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate?
tert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate has a molecular weight of 394.95 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 126850171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).