[4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate

C14H17NO2S — CID 151477380

IUPAC[4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate
SMILESCC(C)(CCc1ccc2ccsc2c1)OC(N)=O
InChIInChI=1S/C14H17NO2S/c1-14(2,17-13(15)16)7-5-10-3-4-11-6-8-18-12(11)9-10/h3-4,6,8-9H,5,7H2,1-2H3,(H2,15,16)
InChIKeyPLSVYLIDCGJWOE-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.71
Rot. Bonds4

About [4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate

[4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate (PubChem CID 151477380) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is [4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate
PubChem CID151477380
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name[4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate
SMILESCC(C)(CCc1ccc2ccsc2c1)OC(N)=O
InChIInChI=1S/C14H17NO2S/c1-14(2,17-13(15)16)7-5-10-3-4-11-6-8-18-12(11)9-10/h3-4,6,8-9H,5,7H2,1-2H3,(H2,15,16)
InChIKeyPLSVYLIDCGJWOE-UHFFFAOYSA-N
XLogP3.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate?
The IUPAC name of [4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate (CID 151477380) is [4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate.
What is the SMILES notation for [4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate?
The canonical SMILES for [4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate is CC(C)(CCc1ccc2ccsc2c1)OC(N)=O.
What is the InChIKey of [4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate?
The InChIKey is PLSVYLIDCGJWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-14(2,17-13(15)16)7-5-10-3-4-11-6-8-18-12(11)9-10/h3-4,6,8-9H,5,7H2,1-2H3,(H2,15,16).
What are the key properties of [4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate?
[4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate has a molecular weight of 263.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate is sourced from PubChem (CID 151477380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).