N-(ethylsulfonimidoyl)-6-methylthian-3-amine

C8H18N2OS2 — CID 164646293

IUPACN-(ethylsulfonimidoyl)-6-methylthian-3-amine
SMILES[H]N=S(=O)(CC)NC1CCC(C)SC1
InChIInChI=1S/C8H18N2OS2/c1-3-13(9,11)10-8-5-4-7(2)12-6-8/h7-8H,3-6H2,1-2H3,(H2,9,10,11)
InChIKeyNNVKRTSDCUKDPV-UHFFFAOYSA-N
MW222.38 g/mol
LogP1.84
Rot. Bonds3

About N-(ethylsulfonimidoyl)-6-methylthian-3-amine

N-(ethylsulfonimidoyl)-6-methylthian-3-amine (PubChem CID 164646293) has the molecular formula C8H18N2OS2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-(ethylsulfonimidoyl)-6-methylthian-3-amine.

Molecular Properties

Compound NameN-(ethylsulfonimidoyl)-6-methylthian-3-amine
PubChem CID164646293
Molecular FormulaC8H18N2OS2
Molecular Weight222.38 g/mol
Exact Mass222.09
IUPAC NameN-(ethylsulfonimidoyl)-6-methylthian-3-amine
SMILES[H]N=S(=O)(CC)NC1CCC(C)SC1
InChIInChI=1S/C8H18N2OS2/c1-3-13(9,11)10-8-5-4-7(2)12-6-8/h7-8H,3-6H2,1-2H3,(H2,9,10,11)
InChIKeyNNVKRTSDCUKDPV-UHFFFAOYSA-N
XLogP1.84
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(ethylsulfonimidoyl)-6-methylthian-3-amine?
The IUPAC name of N-(ethylsulfonimidoyl)-6-methylthian-3-amine (CID 164646293) is N-(ethylsulfonimidoyl)-6-methylthian-3-amine.
What is the SMILES notation for N-(ethylsulfonimidoyl)-6-methylthian-3-amine?
The canonical SMILES for N-(ethylsulfonimidoyl)-6-methylthian-3-amine is [H]N=S(=O)(CC)NC1CCC(C)SC1.
What is the InChIKey of N-(ethylsulfonimidoyl)-6-methylthian-3-amine?
The InChIKey is NNVKRTSDCUKDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS2/c1-3-13(9,11)10-8-5-4-7(2)12-6-8/h7-8H,3-6H2,1-2H3,(H2,9,10,11).
What are the key properties of N-(ethylsulfonimidoyl)-6-methylthian-3-amine?
N-(ethylsulfonimidoyl)-6-methylthian-3-amine has a molecular weight of 222.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylsulfonimidoyl)-6-methylthian-3-amine is sourced from PubChem (CID 164646293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).