tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate

C14H28N2O2S — CID 107243335

IUPACtert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate
SMILESCSCCCNCC1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C14H28N2O2S/c1-13(2,3)18-12(17)16-14(7-5-8-14)11-15-9-6-10-19-4/h15H,5-11H2,1-4H3,(H,16,17)
InChIKeyHYCHNVLFSLERAF-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.78
Rot. Bonds7

About tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate

tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate (PubChem CID 107243335) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate
PubChem CID107243335
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Nametert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate
SMILESCSCCCNCC1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C14H28N2O2S/c1-13(2,3)18-12(17)16-14(7-5-8-14)11-15-9-6-10-19-4/h15H,5-11H2,1-4H3,(H,16,17)
InChIKeyHYCHNVLFSLERAF-UHFFFAOYSA-N
XLogP2.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate
CID 169182679
tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate
CID 104872135
tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106
tert-butyl N-[3-[(1-methylsulfanylcyclobutyl)methylamino]propyl]carbamate
CID 107272034
tert-butyl N-[1-[(2-methylsulfanylpropanoylamino)methyl]cycloheptyl]carbamate
CID 60545414
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243328
tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104537426
tert-butyl N-[3-(5-methylsulfanylpentylamino)propyl]carbamate
CID 107095523
tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate
CID 115071731
tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104530761

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate (CID 107243335) is tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate is CSCCCNCC1(NC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate?
The InChIKey is HYCHNVLFSLERAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-13(2,3)18-12(17)16-14(7-5-8-14)11-15-9-6-10-19-4/h15H,5-11H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate?
tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate has a molecular weight of 288.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate is sourced from PubChem (CID 107243335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).