N'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide

C11H23IN2O2S — CID 18954714

IUPACN'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/S(=O)(=O)CCCC(C)(C)CCI
InChIInChI=1S/C11H23IN2O2S/c1-11(2,7-8-12)6-5-9-17(15,16)13-10-14(3)4/h10H,5-9H2,1-4H3/b13-10+
InChIKeyVBWSNPXNWKSWQE-JLHYYAGUSA-N
MW374.29 g/mol
LogP2.54
Rot. Bonds8

About N'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide

N'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide (PubChem CID 18954714) has the molecular formula C11H23IN2O2S and a molecular weight of 374.29 g/mol. Its IUPAC name is N'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide
PubChem CID18954714
Molecular FormulaC11H23IN2O2S
Molecular Weight374.29 g/mol
Exact Mass374.05
IUPAC NameN'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/S(=O)(=O)CCCC(C)(C)CCI
InChIInChI=1S/C11H23IN2O2S/c1-11(2,7-8-12)6-5-9-17(15,16)13-10-14(3)4/h10H,5-9H2,1-4H3/b13-10+
InChIKeyVBWSNPXNWKSWQE-JLHYYAGUSA-N
XLogP2.54
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide (CID 18954714) is N'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide is CN(C)/C=N/S(=O)(=O)CCCC(C)(C)CCI.
What is the InChIKey of N'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide?
The InChIKey is VBWSNPXNWKSWQE-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H23IN2O2S/c1-11(2,7-8-12)6-5-9-17(15,16)13-10-14(3)4/h10H,5-9H2,1-4H3/b13-10+.
What are the key properties of N'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide?
N'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide has a molecular weight of 374.29 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide is sourced from PubChem (CID 18954714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).