1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine

C10H21FN2O2S — CID 119978040

IUPAC1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)CCCF)CC1
InChIInChI=1S/C10H21FN2O2S/c1-12-9-10-3-6-13(7-4-10)16(14,15)8-2-5-11/h10,12H,2-9H2,1H3
InChIKeyJBGNQKOIQWONFR-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.61
Rot. Bonds6

About 1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine

1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine (PubChem CID 119978040) has the molecular formula C10H21FN2O2S and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine
PubChem CID119978040
Molecular FormulaC10H21FN2O2S
Molecular Weight252.35 g/mol
Exact Mass252.13
IUPAC Name1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)CCCF)CC1
InChIInChI=1S/C10H21FN2O2S/c1-12-9-10-3-6-13(7-4-10)16(14,15)8-2-5-11/h10,12H,2-9H2,1H3
InChIKeyJBGNQKOIQWONFR-UHFFFAOYSA-N
XLogP0.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936
1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine
CID 63264016
N-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine
CID 79672711
N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977837
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878962
methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate
CID 55168861
[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
CID 63288293
3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoic acid
CID 63264239
N,N-diethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 63248937
N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 103504277
N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878575
4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 80552508

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine (CID 119978040) is 1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(S(=O)(=O)CCCF)CC1.
What is the InChIKey of 1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine?
The InChIKey is JBGNQKOIQWONFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O2S/c1-12-9-10-3-6-13(7-4-10)16(14,15)8-2-5-11/h10,12H,2-9H2,1H3.
What are the key properties of 1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine?
1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine has a molecular weight of 252.35 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 119978040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).