tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate

C12H24N2O4S — CID 59478990

IUPACtert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCN1S(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-12(2,3)18-11(15)13-9-10-7-5-6-8-14(10)19(4,16)17/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyWCPWYFGMFRSNGJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.33
Rot. Bonds3

About tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate

tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate (PubChem CID 59478990) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate
PubChem CID59478990
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Nametert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCN1S(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-12(2,3)18-11(15)13-9-10-7-5-6-8-14(10)19(4,16)17/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyWCPWYFGMFRSNGJ-UHFFFAOYSA-N
XLogP1.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate
CID 175669782
tert-butyl N-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]carbamate
CID 126850171
1-tert-butyl-3-[(1-methylsulfonylpyrrolidin-2-yl)methyl]urea
CID 110749992
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
CID 96553784
tert-butyl N-[[(2R)-1-[3-(bromomethyl)phenyl]sulfonylpiperidin-2-yl]methyl]carbamate
CID 97174304
tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate
CID 10684329
tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
CID 60606736
tert-butyl N-[[(2R)-1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]carbamate
CID 97174310
tert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate
CID 97221337
tert-butyl N-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]carbamate
CID 10800963
tert-butyl N-[[(2S)-1-pent-3-ynylpiperidin-2-yl]methyl]carbamate
CID 97308407

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate (CID 59478990) is tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCCN1S(C)(=O)=O.
What is the InChIKey of tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate?
The InChIKey is WCPWYFGMFRSNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-12(2,3)18-11(15)13-9-10-7-5-6-8-14(10)19(4,16)17/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate?
tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate has a molecular weight of 292.40 g/mol, XLogP of 1.33, 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-methylsulfonylpiperidin-2-yl)methyl]carbamate is sourced from PubChem (CID 59478990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).