N-[(2R)-2-(ethylamino)propyl]-3-fluoropropane-1-sulfonamide

C8H19FN2O2S — CID 120664506

IUPACN-[(2R)-2-(ethylamino)propyl]-3-fluoropropane-1-sulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)CCCF
InChIInChI=1S/C8H19FN2O2S/c1-3-10-8(2)7-11-14(12,13)6-4-5-9/h8,10-11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeySJPFABPIVJTWGC-MRVPVSSYSA-N
MW226.32 g/mol
LogP0.26
Rot. Bonds8

About N-[(2R)-2-(ethylamino)propyl]-3-fluoropropane-1-sulfonamide

N-[(2R)-2-(ethylamino)propyl]-3-fluoropropane-1-sulfonamide (PubChem CID 120664506) has the molecular formula C8H19FN2O2S and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3-fluoropropane-1-sulfonamide
PubChem CID120664506
Molecular FormulaC8H19FN2O2S
Molecular Weight226.32 g/mol
Exact Mass226.12
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3-fluoropropane-1-sulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)CCCF
InChIInChI=1S/C8H19FN2O2S/c1-3-10-8(2)7-11-14(12,13)6-4-5-9/h8,10-11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeySJPFABPIVJTWGC-MRVPVSSYSA-N
XLogP0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpropyl)amino]-N,N-dimethylethanesulfonamide
CID 50980466
N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 121481036
N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 121481054
3-(1,1-Difluoroethyl)-1-ethylsulfonylpiperazine
CID 137536927
N-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 154928654
N-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide
CID 169240135
N,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine
CID 176837586
N,N-dimethyl-2-[3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine
CID 176837615
N-methyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 54972388
N-cyclopropyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 55009456
N-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 55009504
2-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 55009552

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-fluoropropane-1-sulfonamide (CID 120664506) is N-[(2R)-2-(ethylamino)propyl]-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3-fluoropropane-1-sulfonamide is CCN[C@H](C)CNS(=O)(=O)CCCF.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3-fluoropropane-1-sulfonamide?
The InChIKey is SJPFABPIVJTWGC-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H19FN2O2S/c1-3-10-8(2)7-11-14(12,13)6-4-5-9/h8,10-11H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3-fluoropropane-1-sulfonamide?
N-[(2R)-2-(ethylamino)propyl]-3-fluoropropane-1-sulfonamide has a molecular weight of 226.32 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 120664506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).