1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride

C5H10ClF3N2O2S — CID 118916108

IUPAC1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2S.ClH/c6-5(7,8)13(11,12)10-4-1-2-9-3-4;/h4,9-10H,1-3H2;1H
InChIKeyALVKIFMTRHTHCJ-UHFFFAOYSA-N
MW254.66 g/mol
LogP0.21
Rot. Bonds2

About 1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride

1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride (PubChem CID 118916108) has the molecular formula C5H10ClF3N2O2S and a molecular weight of 254.66 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
PubChem CID118916108
Molecular FormulaC5H10ClF3N2O2S
Molecular Weight254.66 g/mol
Exact Mass254.01
IUPAC Name1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2S.ClH/c6-5(7,8)13(11,12)10-4-1-2-9-3-4;/h4,9-10H,1-3H2;1H
InChIKeyALVKIFMTRHTHCJ-UHFFFAOYSA-N
XLogP0.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.66
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide
CID 11368252
(R)-1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 70700475
N-(pyrrolidin-3-yl)methanesulfonamide hydrochloride
CID 54593949
N-[(3S)-pyrrolidin-3-yl]methanesulfonamide hydrochloride
CID 67249206
N-((3R)-pyrrolidin-3-yl)methanesulfonamide hydrochloride
CID 137965899
1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 53412406
1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide
CID 59298226
Pyrrolidine trifluoromethanesulfonamide
CID 66808720
N-(Pyrrolidine-3alpha-yl)trifluoromethanesulfonamide
CID 71194434
N-(Pyrrolidin-3-yl)methanesulfonamide
CID 22352625
1-methanesulfonyl-N-methylpyrrolidin-3-amine
CID 59686798
1-methanesulfonyl-N-methylpyrrolidin-3-amine hydrochloride
CID 119031901

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
The IUPAC name of 1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride (CID 118916108) is 1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride.
What is the SMILES notation for 1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
The canonical SMILES for 1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
The InChIKey is ALVKIFMTRHTHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O2S.ClH/c6-5(7,8)13(11,12)10-4-1-2-9-3-4;/h4,9-10H,1-3H2;1H.
What are the key properties of 1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride has a molecular weight of 254.66 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 118916108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).