tert-butyl N-[2-[4-amino-2-(methylsulfonylmethyl)phenyl]cyclopropyl]carbamate

C16H24N2O4S — CID 140828389

IUPACtert-butyl N-[2-[4-amino-2-(methylsulfonylmethyl)phenyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1c1ccc(N)cc1CS(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)22-15(19)18-14-8-13(14)12-6-5-11(17)7-10(12)9-23(4,20)21/h5-7,13-14H,8-9,17H2,1-4H3,(H,18,19)
InChIKeySVUITZBCGOKRIW-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.19
Rot. Bonds4

About tert-butyl N-[2-[4-amino-2-(methylsulfonylmethyl)phenyl]cyclopropyl]carbamate

tert-butyl N-[2-[4-amino-2-(methylsulfonylmethyl)phenyl]cyclopropyl]carbamate (PubChem CID 140828389) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is tert-butyl N-[2-[4-amino-2-(methylsulfonylmethyl)phenyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-amino-2-(methylsulfonylmethyl)phenyl]cyclopropyl]carbamate
PubChem CID140828389
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Nametert-butyl N-[2-[4-amino-2-(methylsulfonylmethyl)phenyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1c1ccc(N)cc1CS(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)22-15(19)18-14-8-13(14)12-6-5-11(17)7-10(12)9-23(4,20)21/h5-7,13-14H,8-9,17H2,1-4H3,(H,18,19)
InChIKeySVUITZBCGOKRIW-UHFFFAOYSA-N
XLogP2.19
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1R,2S)-2-(4-aminophenyl)cyclopropyl]carbamate
CID 86673140
methyl 4-methyl-3-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzenesulfonate
CID 141410841
methyl 5-fluoro-2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate
CID 118304559
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl 2-[4-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]phenyl]acetate
CID 134350510
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate
CID 86708265
tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate
CID 141045838
tert-butyl N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[(1S,2R)-2-(4-bromophenyl)cyclopropyl]carbamate
CID 172878388
tert-butyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
CID 76555314
methyl 5-methyl-4-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]thiophene-2-carboxylate
CID 118432774

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-amino-2-(methylsulfonylmethyl)phenyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-amino-2-(methylsulfonylmethyl)phenyl]cyclopropyl]carbamate (CID 140828389) is tert-butyl N-[2-[4-amino-2-(methylsulfonylmethyl)phenyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-amino-2-(methylsulfonylmethyl)phenyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-amino-2-(methylsulfonylmethyl)phenyl]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1c1ccc(N)cc1CS(C)(=O)=O.
What is the InChIKey of tert-butyl N-[2-[4-amino-2-(methylsulfonylmethyl)phenyl]cyclopropyl]carbamate?
The InChIKey is SVUITZBCGOKRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-16(2,3)22-15(19)18-14-8-13(14)12-6-5-11(17)7-10(12)9-23(4,20)21/h5-7,13-14H,8-9,17H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[2-[4-amino-2-(methylsulfonylmethyl)phenyl]cyclopropyl]carbamate?
tert-butyl N-[2-[4-amino-2-(methylsulfonylmethyl)phenyl]cyclopropyl]carbamate has a molecular weight of 340.45 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-amino-2-(methylsulfonylmethyl)phenyl]cyclopropyl]carbamate is sourced from PubChem (CID 140828389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).