methyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate

C13H20N2O4S — CID 115918902

IUPACmethyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate
SMILESCCS(=O)(=O)CC(C)Nc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C13H20N2O4S/c1-4-20(17,18)9-10(2)14-11-5-7-12(8-6-11)15-13(16)19-3/h5-8,10,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyBTFKSQDBOVRSEU-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.10
Rot. Bonds6

About methyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate

methyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate (PubChem CID 115918902) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is methyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate
PubChem CID115918902
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Namemethyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate
SMILESCCS(=O)(=O)CC(C)Nc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C13H20N2O4S/c1-4-20(17,18)9-10(2)14-11-5-7-12(8-6-11)15-13(16)19-3/h5-8,10,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyBTFKSQDBOVRSEU-UHFFFAOYSA-N
XLogP2.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate?
The IUPAC name of methyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate (CID 115918902) is methyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate is CCS(=O)(=O)CC(C)Nc1ccc(NC(=O)OC)cc1.
What is the InChIKey of methyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate?
The InChIKey is BTFKSQDBOVRSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-20(17,18)9-10(2)14-11-5-7-12(8-6-11)15-13(16)19-3/h5-8,10,14H,4,9H2,1-3H3,(H,15,16).
What are the key properties of methyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate?
methyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate has a molecular weight of 300.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate is sourced from PubChem (CID 115918902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).