N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine

C15H23N5O2S2 — CID 167911154

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine
SMILESCCc1ncc(CNCC2CCCN(S(=O)(=O)c3cn[nH]c3)C2)s1
InChIInChI=1S/C15H23N5O2S2/c1-2-15-17-8-13(23-15)7-16-6-12-4-3-5-20(11-12)24(21,22)14-9-18-19-10-14/h8-10,12,16H,2-7,11H2,1H3,(H,18,19)
InChIKeyUJJOTCKLPUMDLP-UHFFFAOYSA-N
MW369.52 g/mol
LogP1.62
Rot. Bonds7

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine (PubChem CID 167911154) has the molecular formula C15H23N5O2S2 and a molecular weight of 369.52 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine
PubChem CID167911154
Molecular FormulaC15H23N5O2S2
Molecular Weight369.52 g/mol
Exact Mass369.13
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine
SMILESCCc1ncc(CNCC2CCCN(S(=O)(=O)c3cn[nH]c3)C2)s1
InChIInChI=1S/C15H23N5O2S2/c1-2-15-17-8-13(23-15)7-16-6-12-4-3-5-20(11-12)24(21,22)14-9-18-19-10-14/h8-10,12,16H,2-7,11H2,1H3,(H,18,19)
InChIKeyUJJOTCKLPUMDLP-UHFFFAOYSA-N
XLogP1.62
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine
CID 63854886
3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016068
methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate
CID 79032593
N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63852610
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 64597039
(3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 124972358
3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol
CID 114510125
N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine
CID 115300228
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanamide
CID 97278913
2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927098
2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60983544
1-(1H-pyrazol-4-ylsulfonyl)azepane
CID 60911155

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine (CID 167911154) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine is CCc1ncc(CNCC2CCCN(S(=O)(=O)c3cn[nH]c3)C2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine?
The InChIKey is UJJOTCKLPUMDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S2/c1-2-15-17-8-13(23-15)7-16-6-12-4-3-5-20(11-12)24(21,22)14-9-18-19-10-14/h8-10,12,16H,2-7,11H2,1H3,(H,18,19).
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine has a molecular weight of 369.52 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 167911154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).