2-piperidin-3-ylsulfanylpyrimidine;hydrochloride

C9H14ClN3S — CID 71637401

IUPAC2-piperidin-3-ylsulfanylpyrimidine;hydrochloride
SMILESCl.c1cnc(SC2CCCNC2)nc1
InChIInChI=1S/C9H13N3S.ClH/c1-3-8(7-10-4-1)13-9-11-5-2-6-12-9;/h2,5-6,8,10H,1,3-4,7H2;1H
InChIKeySKJZXKITNJVKRD-UHFFFAOYSA-N
MW231.75 g/mol
LogP1.74
Rot. Bonds2

About 2-piperidin-3-ylsulfanylpyrimidine;hydrochloride

2-piperidin-3-ylsulfanylpyrimidine;hydrochloride (PubChem CID 71637401) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 2-piperidin-3-ylsulfanylpyrimidine;hydrochloride.

Molecular Properties

Compound Name2-piperidin-3-ylsulfanylpyrimidine;hydrochloride
PubChem CID71637401
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name2-piperidin-3-ylsulfanylpyrimidine;hydrochloride
SMILESCl.c1cnc(SC2CCCNC2)nc1
InChIInChI=1S/C9H13N3S.ClH/c1-3-8(7-10-4-1)13-9-11-5-2-6-12-9;/h2,5-6,8,10H,1,3-4,7H2;1H
InChIKeySKJZXKITNJVKRD-UHFFFAOYSA-N
XLogP1.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine
CID 94388352
4-methyl-2-piperidin-3-ylsulfanylpyrimidine
CID 62268752
3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride
CID 71635674
2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 97165150
2-[(3R)-piperidin-3-yl]sulfanylpyrazine
CID 96641481
4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride
CID 71640713
4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine
CID 97162662
4-chloro-5-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine
CID 97162661
2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile
CID 97165168
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]piperidine
CID 104603698
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
3-(piperidin-3-yldisulfanyl)piperidine
CID 152589134

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylsulfanylpyrimidine;hydrochloride?
The IUPAC name of 2-piperidin-3-ylsulfanylpyrimidine;hydrochloride (CID 71637401) is 2-piperidin-3-ylsulfanylpyrimidine;hydrochloride.
What is the SMILES notation for 2-piperidin-3-ylsulfanylpyrimidine;hydrochloride?
The canonical SMILES for 2-piperidin-3-ylsulfanylpyrimidine;hydrochloride is Cl.c1cnc(SC2CCCNC2)nc1.
What is the InChIKey of 2-piperidin-3-ylsulfanylpyrimidine;hydrochloride?
The InChIKey is SKJZXKITNJVKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S.ClH/c1-3-8(7-10-4-1)13-9-11-5-2-6-12-9;/h2,5-6,8,10H,1,3-4,7H2;1H.
What are the key properties of 2-piperidin-3-ylsulfanylpyrimidine;hydrochloride?
2-piperidin-3-ylsulfanylpyrimidine;hydrochloride has a molecular weight of 231.75 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylsulfanylpyrimidine;hydrochloride is sourced from PubChem (CID 71637401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).