4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride

C11H18ClN3O2S — CID 71638944

IUPAC4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
SMILESCc1ccnc(S(=O)(=O)CC2CCCCN2)n1.Cl
InChIInChI=1S/C11H17N3O2S.ClH/c1-9-5-7-13-11(14-9)17(15,16)8-10-4-2-3-6-12-10;/h5,7,10,12H,2-4,6,8H2,1H3;1H
InChIKeyBGTQLMNSQGMBBR-UHFFFAOYSA-N
MW291.80 g/mol
LogP1.12
Rot. Bonds3

About 4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride

4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride (PubChem CID 71638944) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is 4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
PubChem CID71638944
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC Name4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
SMILESCc1ccnc(S(=O)(=O)CC2CCCCN2)n1.Cl
InChIInChI=1S/C11H17N3O2S.ClH/c1-9-5-7-13-11(14-9)17(15,16)8-10-4-2-3-6-12-10;/h5,7,10,12H,2-4,6,8H2,1H3;1H
InChIKeyBGTQLMNSQGMBBR-UHFFFAOYSA-N
XLogP1.12
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
CID 71638946
2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine
CID 71645712
2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine
CID 97162673
3-methyl-6-[[(2S)-piperidin-2-yl]methylsulfonyl]pyridazine
CID 97162931
2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride
CID 71645679
N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973719
4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine
CID 97163202
2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride
CID 71645669
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
CID 97301336
2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile
CID 97165916
2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline
CID 71639761
2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride
CID 71636411

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride?
The IUPAC name of 4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride (CID 71638944) is 4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride.
What is the SMILES notation for 4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride?
The canonical SMILES for 4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride is Cc1ccnc(S(=O)(=O)CC2CCCCN2)n1.Cl.
What is the InChIKey of 4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride?
The InChIKey is BGTQLMNSQGMBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S.ClH/c1-9-5-7-13-11(14-9)17(15,16)8-10-4-2-3-6-12-10;/h5,7,10,12H,2-4,6,8H2,1H3;1H.
What are the key properties of 4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride?
4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride has a molecular weight of 291.80 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride is sourced from PubChem (CID 71638944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).