4-amino-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide

C8H20N2O4S — CID 61456652

IUPAC4-amino-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)N(CCO)CCO
InChIInChI=1S/C8H20N2O4S/c9-3-1-2-8-15(13,14)10(4-6-11)5-7-12/h11-12H,1-9H2
InChIKeyPXCPECSPHDPYJH-UHFFFAOYSA-N
MW240.32 g/mol
LogP-1.66
Rot. Bonds9

About 4-amino-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide

4-amino-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide (PubChem CID 61456652) has the molecular formula C8H20N2O4S and a molecular weight of 240.32 g/mol. Its IUPAC name is 4-amino-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
PubChem CID61456652
Molecular FormulaC8H20N2O4S
Molecular Weight240.32 g/mol
Exact Mass240.11
IUPAC Name4-amino-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)N(CCO)CCO
InChIInChI=1S/C8H20N2O4S/c9-3-1-2-8-15(13,14)10(4-6-11)5-7-12/h11-12H,1-9H2
InChIKeyPXCPECSPHDPYJH-UHFFFAOYSA-N
XLogP-1.66
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide (CID 61456652) is 4-amino-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide is NCCCCS(=O)(=O)N(CCO)CCO.
What is the InChIKey of 4-amino-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide?
The InChIKey is PXCPECSPHDPYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O4S/c9-3-1-2-8-15(13,14)10(4-6-11)5-7-12/h11-12H,1-9H2.
What are the key properties of 4-amino-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide?
4-amino-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide has a molecular weight of 240.32 g/mol, XLogP of -1.66, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 61456652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).