1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine

C10H18N4O2S — CID 102690325

IUPAC1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(S(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C10H18N4O2S/c1-8(11)9-3-2-6-14(7-9)17(15,16)10-4-5-12-13-10/h4-5,8-9H,2-3,6-7,11H2,1H3,(H,12,13)
InChIKeyJWCOIICVQAGXQY-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.16
Rot. Bonds3

About 1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine

1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine (PubChem CID 102690325) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine
PubChem CID102690325
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(S(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C10H18N4O2S/c1-8(11)9-3-2-6-14(7-9)17(15,16)10-4-5-12-13-10/h4-5,8-9H,2-3,6-7,11H2,1H3,(H,12,13)
InChIKeyJWCOIICVQAGXQY-UHFFFAOYSA-N
XLogP0.16
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 102690607
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CID 102691080
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CID 102692085
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CID 102692181
CID 102692181
CID 102692682
CID 102692682
CID 102692683
CID 102692683
CID 102692781
CID 102692781
CID 102692807
CID 102692807
CID 113725769
CID 113725769
CID 155952046
CID 155952046
CID 47267552
CID 47267552
CID 54936974
CID 54936974

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine (CID 102690325) is 1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine is CC(N)C1CCCN(S(=O)(=O)c2ccn[nH]2)C1.
What is the InChIKey of 1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine?
The InChIKey is JWCOIICVQAGXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-8(11)9-3-2-6-14(7-9)17(15,16)10-4-5-12-13-10/h4-5,8-9H,2-3,6-7,11H2,1H3,(H,12,13).
What are the key properties of 1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine?
1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine has a molecular weight of 258.35 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 102690325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).