5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine

C12H20N4O2S — CID 55050229

IUPAC5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine
SMILESCCCC1CCN(S(=O)(=O)c2cnc(N)nc2)CC1
InChIInChI=1S/C12H20N4O2S/c1-2-3-10-4-6-16(7-5-10)19(17,18)11-8-14-12(13)15-9-11/h8-10H,2-7H2,1H3,(H2,13,14,15)
InChIKeyOSUOJMWBXGJLQX-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.26
Rot. Bonds4

About 5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine

5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine (PubChem CID 55050229) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine
PubChem CID55050229
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine
SMILESCCCC1CCN(S(=O)(=O)c2cnc(N)nc2)CC1
InChIInChI=1S/C12H20N4O2S/c1-2-3-10-4-6-16(7-5-10)19(17,18)11-8-14-12(13)15-9-11/h8-10H,2-7H2,1H3,(H2,13,14,15)
InChIKeyOSUOJMWBXGJLQX-UHFFFAOYSA-N
XLogP1.26
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62206687
5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine
CID 46360864
3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64601309
5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine
CID 62992250
[4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 62204890
4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid
CID 62206118
5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 62151741
4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 113418711
5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62153138
5-(2-ethylmorpholin-4-yl)sulfonylpyrimidin-2-amine
CID 62147516
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrimidin-2-amine
CID 66370906
3-bromo-4-(4-propylpiperidin-1-yl)sulfonylaniline
CID 62200546

Frequently Asked Questions

What is the IUPAC name of 5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine?
The IUPAC name of 5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine (CID 55050229) is 5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine?
The canonical SMILES for 5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine is CCCC1CCN(S(=O)(=O)c2cnc(N)nc2)CC1.
What is the InChIKey of 5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine?
The InChIKey is OSUOJMWBXGJLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-3-10-4-6-16(7-5-10)19(17,18)11-8-14-12(13)15-9-11/h8-10H,2-7H2,1H3,(H2,13,14,15).
What are the key properties of 5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine?
5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine has a molecular weight of 284.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine is sourced from PubChem (CID 55050229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).