4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine

C8H14N4O2S2 — CID 61419062

IUPAC4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1S(=O)(=O)N1CCCSCC1
InChIInChI=1S/C8H14N4O2S2/c9-8-7(6-10-11-8)16(13,14)12-2-1-4-15-5-3-12/h6H,1-5H2,(H3,9,10,11)
InChIKeyIDOLXMFJJVKBAH-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.12
Rot. Bonds2

About 4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine

4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine (PubChem CID 61419062) has the molecular formula C8H14N4O2S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine
PubChem CID61419062
Molecular FormulaC8H14N4O2S2
Molecular Weight262.36 g/mol
Exact Mass262.06
IUPAC Name4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1S(=O)(=O)N1CCCSCC1
InChIInChI=1S/C8H14N4O2S2/c9-8-7(6-10-11-8)16(13,14)12-2-1-4-15-5-3-12/h6H,1-5H2,(H3,9,10,11)
InChIKeyIDOLXMFJJVKBAH-UHFFFAOYSA-N
XLogP0.12
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine (CID 61419062) is 4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1S(=O)(=O)N1CCCSCC1.
What is the InChIKey of 4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine?
The InChIKey is IDOLXMFJJVKBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S2/c9-8-7(6-10-11-8)16(13,14)12-2-1-4-15-5-3-12/h6H,1-5H2,(H3,9,10,11).
What are the key properties of 4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine?
4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine has a molecular weight of 262.36 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 61419062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).