tert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate

C16H24N2O2S — CID 58324958

IUPACtert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccnc1SC1CCCC1
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)20-15(19)18-11-12-7-6-10-17-14(12)21-13-8-4-5-9-13/h6-7,10,13H,4-5,8-9,11H2,1-3H3,(H,18,19)
InChIKeyCFOWJNOMCGCBJH-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.14
Rot. Bonds4

About tert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate

tert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate (PubChem CID 58324958) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is tert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate
PubChem CID58324958
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Nametert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccnc1SC1CCCC1
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)20-15(19)18-11-12-7-6-10-17-14(12)21-13-8-4-5-9-13/h6-7,10,13H,4-5,8-9,11H2,1-3H3,(H,18,19)
InChIKeyCFOWJNOMCGCBJH-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate
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2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
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tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate
CID 107248664
3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyridine-2-carboxylic acid
CID 12017234
tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate
CID 107247266
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
tert-butyl N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
CID 155895576
tert-butyl N-[[4-[(5,6,7,8-tetrahydroquinolin-7-ylamino)methyl]phenyl]methyl]carbamate
CID 68900505
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645
tert-butyl N-[[2-[(azetidin-3-ylamino)methyl]phenyl]methyl]carbamate
CID 107248667

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate (CID 58324958) is tert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cccnc1SC1CCCC1.
What is the InChIKey of tert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate?
The InChIKey is CFOWJNOMCGCBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-16(2,3)20-15(19)18-11-12-7-6-10-17-14(12)21-13-8-4-5-9-13/h6-7,10,13H,4-5,8-9,11H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate?
tert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate has a molecular weight of 308.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-cyclopentylsulfanyl-3-pyridinyl)methyl]carbamate is sourced from PubChem (CID 58324958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).