benzyl N-[3-(thian-2-ylmethylamino)cyclobutyl]carbamate

C18H26N2O2S — CID 103393578

IUPACbenzyl N-[3-(thian-2-ylmethylamino)cyclobutyl]carbamate
SMILESO=C(NC1CC(NCC2CCCCS2)C1)OCc1ccccc1
InChIInChI=1S/C18H26N2O2S/c21-18(22-13-14-6-2-1-3-7-14)20-16-10-15(11-16)19-12-17-8-4-5-9-23-17/h1-3,6-7,15-17,19H,4-5,8-13H2,(H,20,21)
InChIKeyBOLYBKFNEZJHJG-UHFFFAOYSA-N
MW334.48 g/mol
LogP3.32
Rot. Bonds6

About benzyl N-[3-(thian-2-ylmethylamino)cyclobutyl]carbamate

benzyl N-[3-(thian-2-ylmethylamino)cyclobutyl]carbamate (PubChem CID 103393578) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is benzyl N-[3-(thian-2-ylmethylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(thian-2-ylmethylamino)cyclobutyl]carbamate
PubChem CID103393578
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Namebenzyl N-[3-(thian-2-ylmethylamino)cyclobutyl]carbamate
SMILESO=C(NC1CC(NCC2CCCCS2)C1)OCc1ccccc1
InChIInChI=1S/C18H26N2O2S/c21-18(22-13-14-6-2-1-3-7-14)20-16-10-15(11-16)19-12-17-8-4-5-9-23-17/h1-3,6-7,15-17,19H,4-5,8-13H2,(H,20,21)
InChIKeyBOLYBKFNEZJHJG-UHFFFAOYSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.32
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-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate
CID 103393492
benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
CID 103392992
benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 103393812
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate
CID 103393718
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate
CID 103393619
benzyl N-[3-[(3-hydroxy-2-methylpropyl)amino]cyclobutyl]carbamate
CID 103393487
(2S)-2-amino-4-phenyl-N-(thian-2-ylmethyl)butanamide
CID 104984623
benzyl N-[3-[(5-bromothiophen-2-yl)methylamino]cyclobutyl]carbamate
CID 103393251

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(thian-2-ylmethylamino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(thian-2-ylmethylamino)cyclobutyl]carbamate (CID 103393578) is benzyl N-[3-(thian-2-ylmethylamino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(thian-2-ylmethylamino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(thian-2-ylmethylamino)cyclobutyl]carbamate is O=C(NC1CC(NCC2CCCCS2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(thian-2-ylmethylamino)cyclobutyl]carbamate?
The InChIKey is BOLYBKFNEZJHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c21-18(22-13-14-6-2-1-3-7-14)20-16-10-15(11-16)19-12-17-8-4-5-9-23-17/h1-3,6-7,15-17,19H,4-5,8-13H2,(H,20,21).
What are the key properties of benzyl N-[3-(thian-2-ylmethylamino)cyclobutyl]carbamate?
benzyl N-[3-(thian-2-ylmethylamino)cyclobutyl]carbamate has a molecular weight of 334.48 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(thian-2-ylmethylamino)cyclobutyl]carbamate is sourced from PubChem (CID 103393578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).