N,N-bis(methylsulfanyl)-3-triethoxysilylpropan-1-amine;(methyltetrasulfanyl)methane

C13H33NO3S6Si — CID 159916460

IUPACN,N-bis(methylsulfanyl)-3-triethoxysilylpropan-1-amine;(methyltetrasulfanyl)methane
SMILESCCO[Si](CCCN(SC)SC)(OCC)OCC.CSSSSC
InChIInChI=1S/C11H27NO3S2Si.C2H6S4/c1-6-13-18(14-7-2,15-8-3)11-9-10-12(16-4)17-5;1-3-5-6-4-2/h6-11H2,1-5H3;1-2H3
InChIKeyNXVPQNLTXYWKIZ-UHFFFAOYSA-N
MW471.90 g/mol
LogP6.21
Rot. Bonds15

About N,N-bis(methylsulfanyl)-3-triethoxysilylpropan-1-amine;(methyltetrasulfanyl)methane

N,N-bis(methylsulfanyl)-3-triethoxysilylpropan-1-amine;(methyltetrasulfanyl)methane (PubChem CID 159916460) has the molecular formula C13H33NO3S6Si and a molecular weight of 471.90 g/mol. Its IUPAC name is N,N-bis(methylsulfanyl)-3-triethoxysilylpropan-1-amine;(methyltetrasulfanyl)methane.

Molecular Properties

Compound NameN,N-bis(methylsulfanyl)-3-triethoxysilylpropan-1-amine;(methyltetrasulfanyl)methane
PubChem CID159916460
Molecular FormulaC13H33NO3S6Si
Molecular Weight471.90 g/mol
Exact Mass471.06
IUPAC NameN,N-bis(methylsulfanyl)-3-triethoxysilylpropan-1-amine;(methyltetrasulfanyl)methane
SMILESCCO[Si](CCCN(SC)SC)(OCC)OCC.CSSSSC
InChIInChI=1S/C11H27NO3S2Si.C2H6S4/c1-6-13-18(14-7-2,15-8-3)11-9-10-12(16-4)17-5;1-3-5-6-4-2/h6-11H2,1-5H3;1-2H3
InChIKeyNXVPQNLTXYWKIZ-UHFFFAOYSA-N
XLogP6.21
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.90
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
N-ethoxy-N-silyl-3-triethoxysilylpropan-1-amine
CID 173146503
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine
CID 140647406
2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol
CID 165406159
N-propyl-3-triethoxysilyl-N-trimethylsilylpropan-1-amine
CID 90265370
N-(2-methoxyethyl)-3-triethoxysilyl-N-(3-triethoxysilylpropyl)propan-1-amine
CID 162775125
N-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine
CID 175043415
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301

Frequently Asked Questions

What is the IUPAC name of N,N-bis(methylsulfanyl)-3-triethoxysilylpropan-1-amine;(methyltetrasulfanyl)methane?
The IUPAC name of N,N-bis(methylsulfanyl)-3-triethoxysilylpropan-1-amine;(methyltetrasulfanyl)methane (CID 159916460) is N,N-bis(methylsulfanyl)-3-triethoxysilylpropan-1-amine;(methyltetrasulfanyl)methane.
What is the SMILES notation for N,N-bis(methylsulfanyl)-3-triethoxysilylpropan-1-amine;(methyltetrasulfanyl)methane?
The canonical SMILES for N,N-bis(methylsulfanyl)-3-triethoxysilylpropan-1-amine;(methyltetrasulfanyl)methane is CCO[Si](CCCN(SC)SC)(OCC)OCC.CSSSSC.
What is the InChIKey of N,N-bis(methylsulfanyl)-3-triethoxysilylpropan-1-amine;(methyltetrasulfanyl)methane?
The InChIKey is NXVPQNLTXYWKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NO3S2Si.C2H6S4/c1-6-13-18(14-7-2,15-8-3)11-9-10-12(16-4)17-5;1-3-5-6-4-2/h6-11H2,1-5H3;1-2H3.
What are the key properties of N,N-bis(methylsulfanyl)-3-triethoxysilylpropan-1-amine;(methyltetrasulfanyl)methane?
N,N-bis(methylsulfanyl)-3-triethoxysilylpropan-1-amine;(methyltetrasulfanyl)methane has a molecular weight of 471.90 g/mol, XLogP of 6.21, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(methylsulfanyl)-3-triethoxysilylpropan-1-amine;(methyltetrasulfanyl)methane is sourced from PubChem (CID 159916460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).