5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene

C15H25N3O2S — CID 79723506

IUPAC5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene
SMILESCCCN(CCC)S(=O)(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C15H25N3O2S/c1-3-9-18(10-4-2)21(19,20)17-15-8-5-12-11-13(16)6-7-14(12)15/h6-7,11,15,17H,3-5,8-10,16H2,1-2H3
InChIKeyYGKATQXQWVANKH-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.21
Rot. Bonds7

About 5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene

5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene (PubChem CID 79723506) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene
PubChem CID79723506
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene
SMILESCCCN(CCC)S(=O)(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C15H25N3O2S/c1-3-9-18(10-4-2)21(19,20)17-15-8-5-12-11-13(16)6-7-14(12)15/h6-7,11,15,17H,3-5,8-10,16H2,1-2H3
InChIKeyYGKATQXQWVANKH-UHFFFAOYSA-N
XLogP2.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene?
The IUPAC name of 5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene (CID 79723506) is 5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene?
The canonical SMILES for 5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene is CCCN(CCC)S(=O)(=O)NC1CCc2cc(N)ccc21.
What is the InChIKey of 5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene?
The InChIKey is YGKATQXQWVANKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-9-18(10-4-2)21(19,20)17-15-8-5-12-11-13(16)6-7-14(12)15/h6-7,11,15,17H,3-5,8-10,16H2,1-2H3.
What are the key properties of 5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene?
5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene has a molecular weight of 311.45 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene is sourced from PubChem (CID 79723506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).