tert-butyl N-[[2-[(2-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate

C16H32N2O4S — CID 103724687

IUPACtert-butyl N-[[2-[(2-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C16H32N2O4S/c1-15(2,3)22-14(19)17-10-12-8-7-9-13(12)18-11-16(4,5)23(6,20)21/h12-13,18H,7-11H2,1-6H3,(H,17,19)
InChIKeyGVFUZQWMEJFLRA-UHFFFAOYSA-N
MW348.51 g/mol
LogP2.09
Rot. Bonds6

About tert-butyl N-[[2-[(2-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[(2-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate (PubChem CID 103724687) has the molecular formula C16H32N2O4S and a molecular weight of 348.51 g/mol. Its IUPAC name is tert-butyl N-[[2-[(2-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(2-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate
PubChem CID103724687
Molecular FormulaC16H32N2O4S
Molecular Weight348.51 g/mol
Exact Mass348.21
IUPAC Nametert-butyl N-[[2-[(2-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C16H32N2O4S/c1-15(2,3)22-14(19)17-10-12-8-7-9-13(12)18-11-16(4,5)23(6,20)21/h12-13,18H,7-11H2,1-6H3,(H,17,19)
InChIKeyGVFUZQWMEJFLRA-UHFFFAOYSA-N
XLogP2.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[2-(2-methylprop-2-enylamino)cyclopentyl]methyl]carbamate
CID 114615598
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072
tert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate
CID 107251461
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate
CID 107446347
tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate
CID 103695707
tert-butyl N-[[2-[(1-methylpiperidin-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695749
tert-butyl N-[[2-[3-[methyl(propan-2-yl)amino]propylamino]cyclopentyl]methyl]carbamate
CID 103947617

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(2-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(2-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate (CID 103724687) is tert-butyl N-[[2-[(2-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(2-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(2-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of tert-butyl N-[[2-[(2-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate?
The InChIKey is GVFUZQWMEJFLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4S/c1-15(2,3)22-14(19)17-10-12-8-7-9-13(12)18-11-16(4,5)23(6,20)21/h12-13,18H,7-11H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl N-[[2-[(2-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[(2-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate has a molecular weight of 348.51 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(2-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103724687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).