benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate

C17H19ClN2O2S — CID 103393456

IUPACbenzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate
SMILESO=C(NC1CC(NCc2ccc(Cl)s2)C1)OCc1ccccc1
InChIInChI=1S/C17H19ClN2O2S/c18-16-7-6-15(23-16)10-19-13-8-14(9-13)20-17(21)22-11-12-4-2-1-3-5-12/h1-7,13-14,19H,8-11H2,(H,20,21)
InChIKeyGRSIRIJPIIKEBL-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.95
Rot. Bonds6

About benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate

benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate (PubChem CID 103393456) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate
PubChem CID103393456
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Namebenzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate
SMILESO=C(NC1CC(NCc2ccc(Cl)s2)C1)OCc1ccccc1
InChIInChI=1S/C17H19ClN2O2S/c18-16-7-6-15(23-16)10-19-13-8-14(9-13)20-17(21)22-11-12-4-2-1-3-5-12/h1-7,13-14,19H,8-11H2,(H,20,21)
InChIKeyGRSIRIJPIIKEBL-UHFFFAOYSA-N
XLogP3.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-[(5-bromothiophen-2-yl)methylamino]cyclobutyl]carbamate
CID 103393251
benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 103393812
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate
CID 103393285
benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate
CID 103393345
benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate
CID 103392944
benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
CID 103392992
benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate
CID 103392905
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate
CID 103393516
benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate
CID 103392779

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate (CID 103393456) is benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate is O=C(NC1CC(NCc2ccc(Cl)s2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate?
The InChIKey is GRSIRIJPIIKEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c18-16-7-6-15(23-16)10-19-13-8-14(9-13)20-17(21)22-11-12-4-2-1-3-5-12/h1-7,13-14,19H,8-11H2,(H,20,21).
What are the key properties of benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate?
benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate has a molecular weight of 350.87 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate is sourced from PubChem (CID 103393456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).