N,N-dimethyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-sulfonamide

C14H24N6O2S — CID 70702996

IUPACN,N-dimethyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1
InChIInChI=1S/C14H24N6O2S/c1-17(2)23(21,22)20-11-9-18(10-12-20)13-5-6-15-14(16-13)19-7-3-4-8-19/h5-6H,3-4,7-12H2,1-2H3
InChIKeyKMNYUDHSPMTYSO-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.01
Rot. Bonds4

About N,N-dimethyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-sulfonamide

N,N-dimethyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-sulfonamide (PubChem CID 70702996) has the molecular formula C14H24N6O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-sulfonamide
PubChem CID70702996
Molecular FormulaC14H24N6O2S
Molecular Weight340.45 g/mol
Exact Mass340.17
IUPAC NameN,N-dimethyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1
InChIInChI=1S/C14H24N6O2S/c1-17(2)23(21,22)20-11-9-18(10-12-20)13-5-6-15-14(16-13)19-7-3-4-8-19/h5-6H,3-4,7-12H2,1-2H3
InChIKeyKMNYUDHSPMTYSO-UHFFFAOYSA-N
XLogP0.01
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Hydroxymethyl-4-(4-(N,N-dimethylaminosulfonyl)-1-piperazino)pyrimidine
CID 132302
8-Aza-5-azoniaspiro(4.5)decane, 8-(2-pyrimidinyl)-, bromide (1:1)
CID 657505
2-[4-(Methylsulfonyl)-1-piperazinyl]pyrimidine
CID 841759
4-[2-(1-Hydroxy-ethyl)-pyrimidin-4-yl]-piperazine-1-sulfonic acid dimethylamide
CID 9948799
4-[2-(1-Methoxy-ethyl)-pyrimidin-4-yl]-piperazine-1-sulfonic acid dimethylamide
CID 11056575
4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
CID 11067034
4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine
CID 25128833
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 58227157
N-butyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227326
n,n-Dimethyl-4-(pyrimidin-2-yl)piperazine-1-sulfonamide
CID 3522991
US11091488, Example 51
CID 129195635

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-sulfonamide (CID 70702996) is N,N-dimethyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1.
What is the InChIKey of N,N-dimethyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-sulfonamide?
The InChIKey is KMNYUDHSPMTYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2S/c1-17(2)23(21,22)20-11-9-18(10-12-20)13-5-6-15-14(16-13)19-7-3-4-8-19/h5-6H,3-4,7-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-sulfonamide?
N,N-dimethyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 70702996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).