2,5-bis(ethenylsulfonyl)pentan-1-amine

C9H17NO4S2 — CID 22162068

IUPAC2,5-bis(ethenylsulfonyl)pentan-1-amine
SMILESC=CS(=O)(=O)CCCC(CN)S(=O)(=O)C=C
InChIInChI=1S/C9H17NO4S2/c1-3-15(11,12)7-5-6-9(8-10)16(13,14)4-2/h3-4,9H,1-2,5-8,10H2
InChIKeyXVZJXBHSSAIRFB-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.21
Rot. Bonds8

About 2,5-bis(ethenylsulfonyl)pentan-1-amine

2,5-bis(ethenylsulfonyl)pentan-1-amine (PubChem CID 22162068) has the molecular formula C9H17NO4S2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,5-bis(ethenylsulfonyl)pentan-1-amine.

Molecular Properties

Compound Name2,5-bis(ethenylsulfonyl)pentan-1-amine
PubChem CID22162068
Molecular FormulaC9H17NO4S2
Molecular Weight267.37 g/mol
Exact Mass267.06
IUPAC Name2,5-bis(ethenylsulfonyl)pentan-1-amine
SMILESC=CS(=O)(=O)CCCC(CN)S(=O)(=O)C=C
InChIInChI=1S/C9H17NO4S2/c1-3-15(11,12)7-5-6-9(8-10)16(13,14)4-2/h3-4,9H,1-2,5-8,10H2
InChIKeyXVZJXBHSSAIRFB-UHFFFAOYSA-N
XLogP0.21
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethenylsulfonyl)pentan-1-amine?
The IUPAC name of 2,5-bis(ethenylsulfonyl)pentan-1-amine (CID 22162068) is 2,5-bis(ethenylsulfonyl)pentan-1-amine.
What is the SMILES notation for 2,5-bis(ethenylsulfonyl)pentan-1-amine?
The canonical SMILES for 2,5-bis(ethenylsulfonyl)pentan-1-amine is C=CS(=O)(=O)CCCC(CN)S(=O)(=O)C=C.
What is the InChIKey of 2,5-bis(ethenylsulfonyl)pentan-1-amine?
The InChIKey is XVZJXBHSSAIRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S2/c1-3-15(11,12)7-5-6-9(8-10)16(13,14)4-2/h3-4,9H,1-2,5-8,10H2.
What are the key properties of 2,5-bis(ethenylsulfonyl)pentan-1-amine?
2,5-bis(ethenylsulfonyl)pentan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethenylsulfonyl)pentan-1-amine is sourced from PubChem (CID 22162068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).