O-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate

C24H31NO3SSi — CID 57330497

IUPACO-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate
SMILESC[Si](C)(C)OC(=S)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H31NO3SSi/c1-30(2,3)28-23(29)15-5-4-10-16-25-24(26)27-17-22-20-13-8-6-11-18(20)19-12-7-9-14-21(19)22/h6-9,11-14,22H,4-5,10,15-17H2,1-3H3,(H,25,26)
InChIKeyIEICTZCBNJAPNW-UHFFFAOYSA-N
MW441.67 g/mol
LogP6.26
Rot. Bonds9

About O-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate

O-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate (PubChem CID 57330497) has the molecular formula C24H31NO3SSi and a molecular weight of 441.67 g/mol. Its IUPAC name is O-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate.

Molecular Properties

Compound NameO-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate
PubChem CID57330497
Molecular FormulaC24H31NO3SSi
Molecular Weight441.67 g/mol
Exact Mass441.18
IUPAC NameO-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate
SMILESC[Si](C)(C)OC(=S)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H31NO3SSi/c1-30(2,3)28-23(29)15-5-4-10-16-25-24(26)27-17-22-20-13-8-6-11-18(20)19-12-7-9-14-21(19)22/h6-9,11-14,22H,4-5,10,15-17H2,1-3H3,(H,25,26)
InChIKeyIEICTZCBNJAPNW-UHFFFAOYSA-N
XLogP6.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.67
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 21043295
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 157220460
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
(3R)-3-[7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]butanoic acid
CID 165498296
9H-fluoren-9-ylmethyl N-[11-[11-(9H-fluoren-9-ylmethoxycarbonylamino)undecyldisulfanyl]undecyl]carbamate
CID 139936018
ethyl 2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]acetate
CID 141178701
9H-fluoren-9-ylmethyl N-[5-[(2-methylpropan-2-yl)oxy]pentyl]carbamate
CID 176788717
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724
9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate
CID 158408156
tert-butyl N-[6-(9H-fluoren-9-ylmethoxycarbonylcarbamothioylamino)hexyl]carbamate
CID 170367359

Frequently Asked Questions

What is the IUPAC name of O-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate?
The IUPAC name of O-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate (CID 57330497) is O-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate.
What is the SMILES notation for O-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate?
The canonical SMILES for O-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate is C[Si](C)(C)OC(=S)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of O-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate?
The InChIKey is IEICTZCBNJAPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3SSi/c1-30(2,3)28-23(29)15-5-4-10-16-25-24(26)27-17-22-20-13-8-6-11-18(20)19-12-7-9-14-21(19)22/h6-9,11-14,22H,4-5,10,15-17H2,1-3H3,(H,25,26).
What are the key properties of O-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate?
O-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate has a molecular weight of 441.67 g/mol, XLogP of 6.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate is sourced from PubChem (CID 57330497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).