2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide

C11H17N5O2S — CID 67401886

IUPAC2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide
SMILESN#Cc1c(N)cccc1N1CCCC1.NS(N)(=O)=O
InChIInChI=1S/C11H13N3.H4N2O2S/c12-8-9-10(13)4-3-5-11(9)14-6-1-2-7-14;1-5(2,3)4/h3-5H,1-2,6-7,13H2;(H4,1,2,3,4)
InChIKeyYVKIBTCUHLEWBL-UHFFFAOYSA-N
MW283.36 g/mol
LogP-0.11
Rot. Bonds1

About 2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide

2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide (PubChem CID 67401886) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide.

Molecular Properties

Compound Name2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide
PubChem CID67401886
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide
SMILESN#Cc1c(N)cccc1N1CCCC1.NS(N)(=O)=O
InChIInChI=1S/C11H13N3.H4N2O2S/c12-8-9-10(13)4-3-5-11(9)14-6-1-2-7-14;1-5(2,3)4/h3-5H,1-2,6-7,13H2;(H4,1,2,3,4)
InChIKeyYVKIBTCUHLEWBL-UHFFFAOYSA-N
XLogP-0.11
TPSA139.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide?
The IUPAC name of 2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide (CID 67401886) is 2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide.
What is the SMILES notation for 2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide?
The canonical SMILES for 2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide is N#Cc1c(N)cccc1N1CCCC1.NS(N)(=O)=O.
What is the InChIKey of 2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide?
The InChIKey is YVKIBTCUHLEWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.H4N2O2S/c12-8-9-10(13)4-3-5-11(9)14-6-1-2-7-14;1-5(2,3)4/h3-5H,1-2,6-7,13H2;(H4,1,2,3,4).
What are the key properties of 2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide?
2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide has a molecular weight of 283.36 g/mol, XLogP of -0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide is sourced from PubChem (CID 67401886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).