tert-butyl N-[(1R,2R)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate

C11H22N2O4S — CID 99998766

IUPACtert-butyl N-[(1R,2R)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate
SMILESCCS(=O)(=O)[C@@H]1C[C@]1(CN)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O4S/c1-5-18(15,16)8-6-11(8,7-12)13-9(14)17-10(2,3)4/h8H,5-7,12H2,1-4H3,(H,13,14)/t8-,11-/m1/s1
InChIKeyOBVVBOSAPFSJAV-LDYMZIIASA-N
MW278.37 g/mol
LogP0.42
Rot. Bonds4

About tert-butyl N-[(1R,2R)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate

tert-butyl N-[(1R,2R)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate (PubChem CID 99998766) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate
PubChem CID99998766
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Nametert-butyl N-[(1R,2R)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate
SMILESCCS(=O)(=O)[C@@H]1C[C@]1(CN)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O4S/c1-5-18(15,16)8-6-11(8,7-12)13-9(14)17-10(2,3)4/h8H,5-7,12H2,1-4H3,(H,13,14)/t8-,11-/m1/s1
InChIKeyOBVVBOSAPFSJAV-LDYMZIIASA-N
XLogP0.42
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate
CID 102568944
tert-butyl N-[(1S,2S)-1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]carbamate
CID 99999101
tert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate
CID 163598216
tert-butyl N-[(1R,2R,3S)-1-(aminomethyl)-2-ethylsulfonyl-3-(4-methylphenyl)cyclopropyl]carbamate
CID 124857430
tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate
CID 167726383
tert-butyl N-[(1R,2R,3S)-1-(aminomethyl)-2-ethylsulfonyl-3-(4-fluorophenyl)cyclopropyl]carbamate
CID 124857270
tert-butyl N-[3-(aminomethylsulfonyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 156832537
tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate
CID 130004007
ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonyloxycyclobutane-1-carboxylate
CID 134303828
tert-butyl N-[1-(cyanomethyl)-2-propan-2-ylcyclopropyl]carbamate
CID 84799291
tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate
CID 118483818
tert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate
CID 84795643

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate (CID 99998766) is tert-butyl N-[(1R,2R)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate is CCS(=O)(=O)[C@@H]1C[C@]1(CN)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R,2R)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate?
The InChIKey is OBVVBOSAPFSJAV-LDYMZIIASA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-5-18(15,16)8-6-11(8,7-12)13-9(14)17-10(2,3)4/h8H,5-7,12H2,1-4H3,(H,13,14)/t8-,11-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate?
tert-butyl N-[(1R,2R)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate has a molecular weight of 278.37 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate is sourced from PubChem (CID 99998766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).