N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide

C14H23N5O2S — CID 53185808

IUPACN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C14H23N5O2S/c1-22(20,21)17-12-5-4-8-19(10-12)14-9-13(15-11-16-14)18-6-2-3-7-18/h9,11-12,17H,2-8,10H2,1H3
InChIKeySXCLCXMEBOBYSE-UHFFFAOYSA-N
MW325.44 g/mol
LogP0.59
Rot. Bonds4

About N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide

N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 53185808) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
PubChem CID53185808
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC NameN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C14H23N5O2S/c1-22(20,21)17-12-5-4-8-19(10-12)14-9-13(15-11-16-14)18-6-2-3-7-18/h9,11-12,17H,2-8,10H2,1H3
InChIKeySXCLCXMEBOBYSE-UHFFFAOYSA-N
XLogP0.59
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(Pyrrolidin-1-YL)pyrimidin-4-YL]piperidin-3-amine
CID 53185814
4-N-ethyl-2-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 50960313
N,N-dimethyl-4-(2-(pyrrolidin-1-yl)pyrimidin-4-yl)piperazine-1-sulfonamide
CID 70702996
4-(4-(Methylsulfonyl)piperazin-1-yl)-2-(piperidin-1-yl)pyrimidine
CID 70703102
4-(4-(Methylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703168
4-(4-(Propylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703312
N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide
CID 71978146
[1-[6-(4-Methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144657
N-[2-[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide
CID 75379307
N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 110259041
6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 54592577
N-(2-{[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino}ethyl)methanesulfonamide
CID 45497031

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide (CID 53185808) is N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(c2cc(N3CCCC3)ncn2)C1.
What is the InChIKey of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is SXCLCXMEBOBYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-22(20,21)17-12-5-4-8-19(10-12)14-9-13(15-11-16-14)18-6-2-3-7-18/h9,11-12,17H,2-8,10H2,1H3.
What are the key properties of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide?
N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 325.44 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 53185808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).