N-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide

C5H12F2N2O2S — CID 28606505

IUPACN-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide
SMILESCN(CCCN)S(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-9(4-2-3-8)12(10,11)5(6)7/h5H,2-4,8H2,1H3
InChIKeyMOHHZIWUJFYJHY-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.18
Rot. Bonds5

About N-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide

N-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide (PubChem CID 28606505) has the molecular formula C5H12F2N2O2S and a molecular weight of 202.23 g/mol. Its IUPAC name is N-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide
PubChem CID28606505
Molecular FormulaC5H12F2N2O2S
Molecular Weight202.23 g/mol
Exact Mass202.06
IUPAC NameN-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide
SMILESCN(CCCN)S(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-9(4-2-3-8)12(10,11)5(6)7/h5H,2-4,8H2,1H3
InChIKeyMOHHZIWUJFYJHY-UHFFFAOYSA-N
XLogP-0.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Butanesulfonamide, N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluoro-
CID 110558
N-[3-(Dimethylamino)propyl]-perfluoropropane-1-sulfonamide
CID 139596046
N-(3-aminopropyl)-N-methylmethanesulfonamide hydrochloride
CID 122163908
N-[3-(methylamino)propyl]methanesulfonamide
CID 23573809
Perfluoromethane sulfonamido propyl dimethyl amine
CID 21524814
N-(3-aminopropyl)-1,1-difluoromethanesulfonamide hydrochloride
CID 137935095
Perfluoroethane sulfonamido propyl dimethyl amine
CID 163324129
N-(3-aminopropyl)-1,1,1-trifluoromethanesulfonamide
CID 10998172
N-(3-aminopropyl)-N-methylmethanesulfonamide
CID 23010539
1,1-difluoro-N-propylmethanesulfonamide
CID 43258994
1,1,1-trifluoro-N-[3-(methylamino)propyl]methanesulfonamide
CID 43606008
1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62658738

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide (CID 28606505) is N-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide is CN(CCCN)S(=O)(=O)C(F)F.
What is the InChIKey of N-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide?
The InChIKey is MOHHZIWUJFYJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2O2S/c1-9(4-2-3-8)12(10,11)5(6)7/h5H,2-4,8H2,1H3.
What are the key properties of N-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide?
N-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide has a molecular weight of 202.23 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 28606505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).