N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]propane-1-sulfonamide

C13H21FN4O2S — CID 91814123

IUPACN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C13H21FN4O2S/c1-2-7-21(19,20)17-8-11-3-5-18(6-4-11)13-15-9-12(14)10-16-13/h9-11,17H,2-8H2,1H3
InChIKeyUMUDWOBCVWBEPW-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.16
Rot. Bonds6

About N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]propane-1-sulfonamide

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]propane-1-sulfonamide (PubChem CID 91814123) has the molecular formula C13H21FN4O2S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]propane-1-sulfonamide
PubChem CID91814123
Molecular FormulaC13H21FN4O2S
Molecular Weight316.40 g/mol
Exact Mass316.14
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C13H21FN4O2S/c1-2-7-21(19,20)17-8-11-3-5-18(6-4-11)13-15-9-12(14)10-16-13/h9-11,17H,2-8H2,1H3
InChIKeyUMUDWOBCVWBEPW-UHFFFAOYSA-N
XLogP1.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(5-Fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane
CID 118739083
2-Cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 118739084
2-Ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 118739087
9-(5-Fluoropyrimidin-2-yl)-2-propylsulfonyl-2,9-diazaspiro[4.5]decane
CID 118739088
[1-(5-Bromopyrimidin-2-yl)piperidin-4-yl]methanesulfonamide
CID 60301772
1-(5-chloropyrimidin-2-yl)-N-methylpiperidine-3-sulfonamide
CID 75376381
N-[(1,1-dioxothian-4-yl)methyl]-5-fluoropyrimidin-2-amine
CID 75496379
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 91814102
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)-3-(methylsulfonyl)-2-oxoimidazolidine-1-carboxamide
CID 91814119
5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 97130364
N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99950077
(3aS,8aR)-6-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepine 1,1-dioxide
CID 125258073

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]propane-1-sulfonamide (CID 91814123) is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]propane-1-sulfonamide?
The InChIKey is UMUDWOBCVWBEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O2S/c1-2-7-21(19,20)17-8-11-3-5-18(6-4-11)13-15-9-12(14)10-16-13/h9-11,17H,2-8H2,1H3.
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]propane-1-sulfonamide?
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]propane-1-sulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 91814123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).