N-(3-amino-2-methylpropyl)-1,1-difluoromethanesulfonamide

C5H12F2N2O2S — CID 62667622

IUPACN-(3-amino-2-methylpropyl)-1,1-difluoromethanesulfonamide
SMILESCC(CN)CNS(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-4(2-8)3-9-12(10,11)5(6)7/h4-5,9H,2-3,8H2,1H3
InChIKeyMCVOVQTTXPZAFS-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.28
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-1,1-difluoromethanesulfonamide

N-(3-amino-2-methylpropyl)-1,1-difluoromethanesulfonamide (PubChem CID 62667622) has the molecular formula C5H12F2N2O2S and a molecular weight of 202.23 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-1,1-difluoromethanesulfonamide
PubChem CID62667622
Molecular FormulaC5H12F2N2O2S
Molecular Weight202.23 g/mol
Exact Mass202.06
IUPAC NameN-(3-amino-2-methylpropyl)-1,1-difluoromethanesulfonamide
SMILESCC(CN)CNS(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-4(2-8)3-9-12(10,11)5(6)7/h4-5,9H,2-3,8H2,1H3
InChIKeyMCVOVQTTXPZAFS-UHFFFAOYSA-N
XLogP-0.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide
CID 58427695
N-(3-aminopropyl)-1,1-difluoromethanesulfonamide hydrochloride
CID 137935095
1,1,1-Trifluoro-N-(2-methylbutyl)methanesulfonamide
CID 72183447
N-(3-aminopropyl)-1,1,1-trifluoromethanesulfonamide
CID 10998172
N-(2,2-difluoropropyl)methanesulfonamide
CID 18686371
1,1-difluoro-N-propylmethanesulfonamide
CID 43258994
1,1-difluoro-N-(2-methylpropyl)methanesulfonamide
CID 62735181
N-(3,3,3-trifluoropropyl)methanesulfonamide
CID 64586125
N-(4,4,4-trifluorobutyl)methanesulfonamide
CID 79040675
1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide
CID 87155234
azane;N-butyl-1,1,1-trifluoromethanesulfonamide
CID 88214043

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-1,1-difluoromethanesulfonamide (CID 62667622) is N-(3-amino-2-methylpropyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-1,1-difluoromethanesulfonamide is CC(CN)CNS(=O)(=O)C(F)F.
What is the InChIKey of N-(3-amino-2-methylpropyl)-1,1-difluoromethanesulfonamide?
The InChIKey is MCVOVQTTXPZAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2O2S/c1-4(2-8)3-9-12(10,11)5(6)7/h4-5,9H,2-3,8H2,1H3.
What are the key properties of N-(3-amino-2-methylpropyl)-1,1-difluoromethanesulfonamide?
N-(3-amino-2-methylpropyl)-1,1-difluoromethanesulfonamide has a molecular weight of 202.23 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 62667622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).