N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide

C14H26N2O2SSi — CID 106336342

IUPACN-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide
SMILESC[Si](C)(C)c1ccc(CNCCCNS(C)(=O)=O)cc1
InChIInChI=1S/C14H26N2O2SSi/c1-19(17,18)16-11-5-10-15-12-13-6-8-14(9-7-13)20(2,3)4/h6-9,15-16H,5,10-12H2,1-4H3
InChIKeyWKDWRLVFNWZXQD-UHFFFAOYSA-N
MW314.53 g/mol
LogP1.26
Rot. Bonds8

About N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide

N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide (PubChem CID 106336342) has the molecular formula C14H26N2O2SSi and a molecular weight of 314.53 g/mol. Its IUPAC name is N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide
PubChem CID106336342
Molecular FormulaC14H26N2O2SSi
Molecular Weight314.53 g/mol
Exact Mass314.15
IUPAC NameN-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide
SMILESC[Si](C)(C)c1ccc(CNCCCNS(C)(=O)=O)cc1
InChIInChI=1S/C14H26N2O2SSi/c1-19(17,18)16-11-5-10-15-12-13-6-8-14(9-7-13)20(2,3)4/h6-9,15-16H,5,10-12H2,1-4H3
InChIKeyWKDWRLVFNWZXQD-UHFFFAOYSA-N
XLogP1.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.53
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-trimethylsilylphenyl)methyl]ethane-1,2-diamine
CID 103437754
N-[3-(1H-pyrrol-3-ylmethylamino)propyl]methanesulfonamide
CID 115686088
3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437796
N-[3-[(3,4,5-trifluorophenyl)methylamino]propyl]methanesulfonamide
CID 103643821
N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide
CID 119109884
N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
CID 106336628
N-[3-[(5-bromo-3-pyridinyl)methylamino]propyl]methanesulfonamide
CID 104856887
4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine
CID 106009810
N-[3-[[3-(difluoromethyl)phenyl]methylamino]propyl]methanesulfonamide
CID 106333003
N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide
CID 113328290
methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate
CID 103437611
N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
CID 86776302

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide (CID 106336342) is N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide is C[Si](C)(C)c1ccc(CNCCCNS(C)(=O)=O)cc1.
What is the InChIKey of N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide?
The InChIKey is WKDWRLVFNWZXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2SSi/c1-19(17,18)16-11-5-10-15-12-13-6-8-14(9-7-13)20(2,3)4/h6-9,15-16H,5,10-12H2,1-4H3.
What are the key properties of N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide?
N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide has a molecular weight of 314.53 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 106336342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).