tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate

C15H28N2O4S — CID 107239046

IUPACtert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NC2CCCC2S(C)(=O)=O)C1
InChIInChI=1S/C15H28N2O4S/c1-15(2,3)21-14(18)17-11-8-10(9-11)16-12-6-5-7-13(12)22(4,19)20/h10-13,16H,5-9H2,1-4H3,(H,17,18)
InChIKeyALANTLFMGKMWCP-UHFFFAOYSA-N
MW332.47 g/mol
LogP1.60
Rot. Bonds4

About tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate

tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate (PubChem CID 107239046) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate
PubChem CID107239046
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC Nametert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NC2CCCC2S(C)(=O)=O)C1
InChIInChI=1S/C15H28N2O4S/c1-15(2,3)21-14(18)17-11-8-10(9-11)16-12-6-5-7-13(12)22(4,19)20/h10-13,16H,5-9H2,1-4H3,(H,17,18)
InChIKeyALANTLFMGKMWCP-UHFFFAOYSA-N
XLogP1.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate
CID 80559219
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate
CID 103857635
tert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate
CID 80562300
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-sulfonic acid
CID 178194612
tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate
CID 79462086
tert-butyl N-[2-[(3-methylcyclohexyl)amino]cyclopropyl]carbamate
CID 107238142
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
CID 107239124
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate
CID 103759512
tert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]carbamate
CID 103720015
tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate
CID 86794453

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate (CID 107239046) is tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(NC2CCCC2S(C)(=O)=O)C1.
What is the InChIKey of tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate?
The InChIKey is ALANTLFMGKMWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-15(2,3)21-14(18)17-11-8-10(9-11)16-12-6-5-7-13(12)22(4,19)20/h10-13,16H,5-9H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate?
tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate has a molecular weight of 332.47 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 107239046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).