tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate

C12H24N2O4S — CID 107237655

IUPACtert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate
SMILESCC(CS(C)(=O)=O)NC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4S/c1-8(7-19(5,16)17)13-9-6-10(9)14-11(15)18-12(2,3)4/h8-10,13H,6-7H2,1-5H3,(H,14,15)
InChIKeySDMIJTXMNPLFNX-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.67
Rot. Bonds5

About tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate

tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate (PubChem CID 107237655) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate
PubChem CID107237655
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Nametert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate
SMILESCC(CS(C)(=O)=O)NC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4S/c1-8(7-19(5,16)17)13-9-6-10(9)14-11(15)18-12(2,3)4/h8-10,13H,6-7H2,1-5H3,(H,14,15)
InChIKeySDMIJTXMNPLFNX-UHFFFAOYSA-N
XLogP0.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate
CID 80562119
tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate
CID 107238063
tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107237881
tert-butyl N-[2-(hexan-2-ylamino)cyclopropyl]carbamate
CID 107237524
tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107238308
tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate
CID 107237914
tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate
CID 107238327
tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate
CID 107237740
tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate
CID 107237772
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate
CID 103913962

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate (CID 107237655) is tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate is CC(CS(C)(=O)=O)NC1CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate?
The InChIKey is SDMIJTXMNPLFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-8(7-19(5,16)17)13-9-6-10(9)14-11(15)18-12(2,3)4/h8-10,13H,6-7H2,1-5H3,(H,14,15).
What are the key properties of tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate?
tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate has a molecular weight of 292.40 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate is sourced from PubChem (CID 107237655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).