5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine

C14H22N2O2S2 — CID 62936523

IUPAC5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine
SMILESNc1csc(S(=O)(=O)N2CCC3(CCCCC3)CC2)c1
InChIInChI=1S/C14H22N2O2S2/c15-12-10-13(19-11-12)20(17,18)16-8-6-14(7-9-16)4-2-1-3-5-14/h10-11H,1-9,15H2
InChIKeyRCLMWDGQDXYKRC-UHFFFAOYSA-N
MW314.48 g/mol
LogP3.07
Rot. Bonds2

About 5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine

5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine (PubChem CID 62936523) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine.

Molecular Properties

Compound Name5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine
PubChem CID62936523
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Name5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine
SMILESNc1csc(S(=O)(=O)N2CCC3(CCCCC3)CC2)c1
InChIInChI=1S/C14H22N2O2S2/c15-12-10-13(19-11-12)20(17,18)16-8-6-14(7-9-16)4-2-1-3-5-14/h10-11H,1-9,15H2
InChIKeyRCLMWDGQDXYKRC-UHFFFAOYSA-N
XLogP3.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine?
The IUPAC name of 5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine (CID 62936523) is 5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine.
What is the SMILES notation for 5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine?
The canonical SMILES for 5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine is Nc1csc(S(=O)(=O)N2CCC3(CCCCC3)CC2)c1.
What is the InChIKey of 5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine?
The InChIKey is RCLMWDGQDXYKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c15-12-10-13(19-11-12)20(17,18)16-8-6-14(7-9-16)4-2-1-3-5-14/h10-11H,1-9,15H2.
What are the key properties of 5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine?
5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine has a molecular weight of 314.48 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine is sourced from PubChem (CID 62936523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).