tert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate

C10H19ClN2O4S — CID 175525054

IUPACtert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C10H19ClN2O4S/c1-10(2,3)17-9(14)12-8-5-4-6-13(7-8)18(11,15)16/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyUSMURKLBQBFMLE-UHFFFAOYSA-N
MW298.79 g/mol
LogP1.46
Rot. Bonds2

About tert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate

tert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate (PubChem CID 175525054) has the molecular formula C10H19ClN2O4S and a molecular weight of 298.79 g/mol. Its IUPAC name is tert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate
PubChem CID175525054
Molecular FormulaC10H19ClN2O4S
Molecular Weight298.79 g/mol
Exact Mass298.08
IUPAC Nametert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C10H19ClN2O4S/c1-10(2,3)17-9(14)12-8-5-4-6-13(7-8)18(11,15)16/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyUSMURKLBQBFMLE-UHFFFAOYSA-N
XLogP1.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]carbamate
CID 97007657
tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
tert-butyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]carbamate
CID 71634480
tert-butyl N-[(3R)-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]carbamate
CID 97176433
tert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate
CID 71632034
tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate
CID 122432272
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
tert-butyl N-[1-(2-chloroacetyl)piperidin-3-yl]carbamate
CID 66566123
tert-butyl N-[1-[(3-chlorophenyl)methylsulfonyl]piperidin-3-yl]carbamate
CID 71632046
tert-butyl N-(1-hydroxyazepan-3-yl)carbamate
CID 70285505
tert-butyl N-[1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidin-3-yl]carbamate
CID 71632038
tert-butyl N-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]carbamate
CID 66925793

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate (CID 175525054) is tert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CCCN(S(=O)(=O)Cl)C1.
What is the InChIKey of tert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate?
The InChIKey is USMURKLBQBFMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O4S/c1-10(2,3)17-9(14)12-8-5-4-6-13(7-8)18(11,15)16/h8H,4-7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate?
tert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate has a molecular weight of 298.79 g/mol, XLogP of 1.46, 2 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-3-yl)carbamate is sourced from PubChem (CID 175525054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).