tert-butyl N-[(1-chlorosulfonylpiperidin-4-yl)methyl]carbamate

C11H21ClN2O4S — CID 154577279

IUPACtert-butyl N-[(1-chlorosulfonylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C11H21ClN2O4S/c1-11(2,3)18-10(15)13-8-9-4-6-14(7-5-9)19(12,16)17/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyOBOKUEVSWOTDTC-UHFFFAOYSA-N
MW312.82 g/mol
LogP1.71
Rot. Bonds3

About tert-butyl N-[(1-chlorosulfonylpiperidin-4-yl)methyl]carbamate

tert-butyl N-[(1-chlorosulfonylpiperidin-4-yl)methyl]carbamate (PubChem CID 154577279) has the molecular formula C11H21ClN2O4S and a molecular weight of 312.82 g/mol. Its IUPAC name is tert-butyl N-[(1-chlorosulfonylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-chlorosulfonylpiperidin-4-yl)methyl]carbamate
PubChem CID154577279
Molecular FormulaC11H21ClN2O4S
Molecular Weight312.82 g/mol
Exact Mass312.09
IUPAC Nametert-butyl N-[(1-chlorosulfonylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C11H21ClN2O4S/c1-11(2,3)18-10(15)13-8-9-4-6-14(7-5-9)19(12,16)17/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyOBOKUEVSWOTDTC-UHFFFAOYSA-N
XLogP1.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Aminoethyl)piperidine, 4-BOC protected
CID 1501849
tert-butyl N-[2-(piperidin-3-yl)ethyl]carbamate
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Tert-butyl (piperidin-4-ylmethyl)carbamate
CID 723429
tert-butyl N-[1-(piperidin-4-yl)ethyl]carbamate
CID 43523185
tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
CID 23004743
tert-Butyl 4-((methylamino)methyl)piperidine-1-carboxylate
CID 21934652
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-dimethylsulfamoyl-, hydrochloride
CID 3057777
tert-Butyl 4-(aminomethyl)piperidine-1-carboxylate hydrochloride
CID 2756034
tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate
CID 19691413
tert-butyl N-methyl-N-[2-(piperidin-4-yl)ethyl]carbamate
CID 23297746
tert-Butyl 4-[2-(methylamino)ethyl]piperidine-1-carboxylate
CID 46835695
Tert-butyl 4-((ethylamino)methyl)piperidine-1-carboxylate
CID 53249196

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-chlorosulfonylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-chlorosulfonylpiperidin-4-yl)methyl]carbamate (CID 154577279) is tert-butyl N-[(1-chlorosulfonylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-chlorosulfonylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-chlorosulfonylpiperidin-4-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(S(=O)(=O)Cl)CC1.
What is the InChIKey of tert-butyl N-[(1-chlorosulfonylpiperidin-4-yl)methyl]carbamate?
The InChIKey is OBOKUEVSWOTDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O4S/c1-11(2,3)18-10(15)13-8-9-4-6-14(7-5-9)19(12,16)17/h9H,4-8H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[(1-chlorosulfonylpiperidin-4-yl)methyl]carbamate?
tert-butyl N-[(1-chlorosulfonylpiperidin-4-yl)methyl]carbamate has a molecular weight of 312.82 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-chlorosulfonylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 154577279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).