N'-[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]ethane-1,2-diamine

C9H25N3OSSi — CID 154587020

IUPACN'-[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]ethane-1,2-diamine
SMILESCC(C)(C)[Si](C)(C)N=S(C)(=O)NCCN
InChIInChI=1S/C9H25N3OSSi/c1-9(2,3)15(5,6)12-14(4,13)11-8-7-10/h7-8,10H2,1-6H3,(H,11,12,13)
InChIKeyMQPZONRLCNZBHM-UHFFFAOYSA-N
MW251.47 g/mol
LogP1.55
Rot. Bonds4

About N'-[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]ethane-1,2-diamine

N'-[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]ethane-1,2-diamine (PubChem CID 154587020) has the molecular formula C9H25N3OSSi and a molecular weight of 251.47 g/mol. Its IUPAC name is N'-[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]ethane-1,2-diamine
PubChem CID154587020
Molecular FormulaC9H25N3OSSi
Molecular Weight251.47 g/mol
Exact Mass251.15
IUPAC NameN'-[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]ethane-1,2-diamine
SMILESCC(C)(C)[Si](C)(C)N=S(C)(=O)NCCN
InChIInChI=1S/C9H25N3OSSi/c1-9(2,3)15(5,6)12-14(4,13)11-8-7-10/h7-8,10H2,1-6H3,(H,11,12,13)
InChIKeyMQPZONRLCNZBHM-UHFFFAOYSA-N
XLogP1.55
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.47
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-dimethylsilane
CID 162396856
N-(2-aminoethyl)methanesulfonamide
CID 158725113
N-(2-aminoethyl)methanesulfonamide;hydrochloride
CID 22609809
1-amino-2-[[2-aminoethyl(ethyl)sulfamoyl]amino]ethane
CID 155056416
N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide
CID 86814125
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
N-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
CID 19621228
N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide
CID 70646120
[2-aminoethylsulfamoyl(methyl)amino]methylcyclopropane;hydrochloride
CID 119959979
ethane-1,2-diamine;methanesulfonic acid
CID 161046577
N-(3-aminopropyl)methanesulfonamide
CID 18350602
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433

Frequently Asked Questions

What is the IUPAC name of N'-[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]ethane-1,2-diamine?
The IUPAC name of N'-[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]ethane-1,2-diamine (CID 154587020) is N'-[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]ethane-1,2-diamine?
The canonical SMILES for N'-[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]ethane-1,2-diamine is CC(C)(C)[Si](C)(C)N=S(C)(=O)NCCN.
What is the InChIKey of N'-[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]ethane-1,2-diamine?
The InChIKey is MQPZONRLCNZBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H25N3OSSi/c1-9(2,3)15(5,6)12-14(4,13)11-8-7-10/h7-8,10H2,1-6H3,(H,11,12,13).
What are the key properties of N'-[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]ethane-1,2-diamine?
N'-[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]ethane-1,2-diamine has a molecular weight of 251.47 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]ethane-1,2-diamine is sourced from PubChem (CID 154587020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).