benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate

C17H26N2O2S — CID 103393780

IUPACbenzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate
SMILESCSC(C)CCNC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C17H26N2O2S/c1-13(22-2)8-9-18-15-10-16(11-15)19-17(20)21-12-14-6-4-3-5-7-14/h3-7,13,15-16,18H,8-12H2,1-2H3,(H,19,20)
InChIKeyWMAUHDYZWWROFQ-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.17
Rot. Bonds8

About benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate

benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate (PubChem CID 103393780) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate
PubChem CID103393780
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Namebenzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate
SMILESCSC(C)CCNC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C17H26N2O2S/c1-13(22-2)8-9-18-15-10-16(11-15)19-17(20)21-12-14-6-4-3-5-7-14/h3-7,13,15-16,18H,8-12H2,1-2H3,(H,19,20)
InChIKeyWMAUHDYZWWROFQ-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
CID 103392992
benzyl N-[3-[(3-hydroxy-2-methylpropyl)amino]cyclobutyl]carbamate
CID 103393487
benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate
CID 103393345
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate
CID 107241414
benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
CID 103392982
methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
CID 103393109
benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate
CID 103393346
benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392750
benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 103393812
benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate
CID 103393619
benzyl N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]cyclobutyl]carbamate
CID 103393770

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate (CID 103393780) is benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate is CSC(C)CCNC1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate?
The InChIKey is WMAUHDYZWWROFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13(22-2)8-9-18-15-10-16(11-15)19-17(20)21-12-14-6-4-3-5-7-14/h3-7,13,15-16,18H,8-12H2,1-2H3,(H,19,20).
What are the key properties of benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate?
benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate has a molecular weight of 322.47 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate is sourced from PubChem (CID 103393780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).