N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine

C16H22N4O2S2 — CID 2998791

IUPACN-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(N(C)Cc3cccs3)nc2)CC1
InChIInChI=1S/C16H22N4O2S2/c1-18-7-9-20(10-8-18)24(21,22)15-5-6-16(17-12-15)19(2)13-14-4-3-11-23-14/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyLRJNRDVRFJJAKQ-UHFFFAOYSA-N
MW366.51 g/mol
LogP1.72
Rot. Bonds5

About N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine

N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 2998791) has the molecular formula C16H22N4O2S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID2998791
Molecular FormulaC16H22N4O2S2
Molecular Weight366.51 g/mol
Exact Mass366.12
IUPAC NameN-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(N(C)Cc3cccs3)nc2)CC1
InChIInChI=1S/C16H22N4O2S2/c1-18-7-9-20(10-8-18)24(21,22)15-5-6-16(17-12-15)19(2)13-14-4-3-11-23-14/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyLRJNRDVRFJJAKQ-UHFFFAOYSA-N
XLogP1.72
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 2998791) is N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine is CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3cccs3)nc2)CC1.
What is the InChIKey of N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is LRJNRDVRFJJAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S2/c1-18-7-9-20(10-8-18)24(21,22)15-5-6-16(17-12-15)19(2)13-14-4-3-11-23-14/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 366.51 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 2998791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).